CID 67612

4-(trifluoromethoxy)benzoyl fluoride

Structural Information

Molecular Formula
C8H4F4O2
SMILES
C1=CC(=CC=C1C(=O)F)OC(F)(F)F
InChI
InChI=1S/C8H4F4O2/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H
InChIKey
UKJWAZZCGZQPTA-UHFFFAOYSA-N
Compound name
4-(trifluoromethoxy)benzoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

208.01474 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.022016 134.9
[M+Na]+ 231.003958 144.4
[M-H]- 207.007464 133.8
[M+NH4]+ 226.048563 153.7
[M+K]+ 246.977898 142.3
[M+H-H2O]+ 191.012000 126.3
[M+HCOO]- 253.012941 153.6
[M+CH3COO]- 267.028591 184.2
[M+Na-2H]- 228.989406 140.0
[M]+ 208.01419142 131.0
[M]- 208.01528858 131.0
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