CID 69570

3-(trifluoromethoxy)benzoyl fluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

208.01474 Da
Monoisotopic Mass

3.7
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

No literature data available for this compound.

Patent stripe

patents stripe