PubChemLite - Perfluorooctanoic anhydride (C16F30O3)

Structural Information

Molecular Formula

SMILES

C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16F30O3/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1(47)49-2(48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46

InChIKey

NBEDTLDKOMPAQK-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	810.94408	216.0
[M+Na]+	832.92602	219.1
[M-H]-	808.92952	230.6
[M+NH4]+	827.97062	230.7
[M+K]+	848.89996	234.2
[M+H-H2O]+	792.93406	203.7
[M+HCOO]-	854.93500	230.1
[M+CH3COO]-	868.95065	269.0
[M+Na-2H]-	830.91147	218.4
[M]+	809.93625	213.5
[M]-	809.93735	213.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

810.94408

216.0

[M+Na]+

832.92602

219.1

[M-H]-

808.92952

230.6

[M+NH4]+

827.97062

230.7

[M+K]+

848.89996

234.2

[M+H-H2O]+

792.93406

203.7

[M+HCOO]-

854.93500

230.1

[M+CH3COO]-

868.95065

269.0

[M+Na-2H]-

830.91147

218.4

[M]+

809.93625

213.5

[M]-

809.93735

213.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Perfluorooctanoic anhydride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe