CID 70068

Decafluorobenzophenone

Structural Information

Molecular Formula
C13F10O
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C13F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17
InChIKey
WWQLXRAKBJVNCC-UHFFFAOYSA-N
Compound name
bis(2,3,4,5,6-pentafluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

794
Patents

361.97894 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.98622 165.7
[M+Na]+ 384.96816 182.2
[M-H]- 360.97166 162.4
[M+NH4]+ 380.01276 179.4
[M+K]+ 400.94210 174.8
[M+H-H2O]+ 344.97620 151.1
[M+HCOO]- 406.97714 178.4
[M+CH3COO]- 420.99279 221.2
[M+Na-2H]- 382.95361 159.8
[M]+ 361.97839 156.3
[M]- 361.97949 156.3
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