CID 67784

4-(trifluoromethyl)benzoyl fluoride

Structural Information

Molecular Formula
C8H4F4O
SMILES
C1=CC(=CC=C1C(=O)F)C(F)(F)F
InChI
InChI=1S/C8H4F4O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
InChIKey
RULVRLLGHXQORW-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)benzoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

192.01982 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02710 131.5
[M+Na]+ 215.00904 141.1
[M-H]- 191.01254 130.5
[M+NH4]+ 210.05364 151.1
[M+K]+ 230.98298 138.5
[M+H-H2O]+ 175.01708 123.1
[M+HCOO]- 237.01802 150.0
[M+CH3COO]- 251.03367 182.3
[M+Na-2H]- 212.99449 136.7
[M]+ 192.01927 126.2
[M]- 192.02037 126.2
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