CID 54569990

Perfluorohexanoic anhydride

Structural Information

Molecular Formula
C12F22O3
SMILES
C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12F22O3/c13-3(14,5(17,18)7(21,22)9(25,26)11(29,30)31)1(35)37-2(36)4(15,16)6(19,20)8(23,24)10(27,28)12(32,33)34
InChIKey
ZWOIEMQQRPMRSE-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

52
Patents

609.9496 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.95688 183.0
[M+Na]+ 632.93882 188.4
[M-H]- 608.94232 195.6
[M+NH4]+ 627.98342 197.2
[M+K]+ 648.91276 199.6
[M+H-H2O]+ 592.94686 172.4
[M+HCOO]- 654.94780 199.9
[M+CH3COO]- 668.96345 250.1
[M+Na-2H]- 630.92427 184.3
[M]+ 609.94905 181.2
[M]- 609.95015 181.2
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