CID 189034

Pentafluorobenzoic anhydride

Structural Information

Molecular Formula
C14F10O3
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)OC(=O)C2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C14F10O3/c15-3-1(4(16)8(20)11(23)7(3)19)13(25)27-14(26)2-5(17)9(21)12(24)10(22)6(2)18
InChIKey
BGCIWPHADHBSOS-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorobenzoyl) 2,3,4,5,6-pentafluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

544
Patents

405.96878 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.97606 174.9
[M+Na]+ 428.95800 190.8
[M-H]- 404.96150 171.6
[M+NH4]+ 424.00260 186.7
[M+K]+ 444.93194 184.5
[M+H-H2O]+ 388.96604 160.0
[M+HCOO]- 450.96698 186.9
[M+CH3COO]- 464.98263 227.1
[M+Na-2H]- 426.94345 167.6
[M]+ 405.96823 167.3
[M]- 405.96933 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe