CID 17750700

4-fluoro-3-(trifluoromethoxy)benzoyl chloride

Structural Information

Molecular Formula
C8H3ClF4O2
SMILES
C1=CC(=C(C=C1C(=O)Cl)OC(F)(F)F)F
InChI
InChI=1S/C8H3ClF4O2/c9-7(14)4-1-2-5(10)6(3-4)15-8(11,12)13/h1-3H
InChIKey
ASKQDNJBLSIOJP-UHFFFAOYSA-N
Compound name
4-fluoro-3-(trifluoromethoxy)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

241.97577 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98305 138.2
[M+Na]+ 264.96499 149.4
[M-H]- 240.96849 137.4
[M+NH4]+ 260.00959 156.9
[M+K]+ 280.93893 145.3
[M+H-H2O]+ 224.97303 130.6
[M+HCOO]- 286.97397 152.5
[M+CH3COO]- 300.98962 189.2
[M+Na-2H]- 262.95044 142.5
[M]+ 241.97522 136.9
[M]- 241.97632 136.9
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