CID 118491

Perfluorooctanoic anhydride

Structural Information

Molecular Formula
C16F30O3
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

compound 2d structure
2
Annotation Hits

0
References

47
Patents

809.9368 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 810.94408 152.5
[M+Na]+ 832.92602 152.5
[M+NH4]+ 827.97062 152.5
[M+K]+ 848.89996 152.5
[M-H]- 808.92952 152.5
[M+Na-2H]- 830.91147 152.5
[M]+ 809.93625 152.5
[M]- 809.93735 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe