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

14
Patents

241.97577 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.983046 138.2
[M+Na]+ 264.964988 149.4
[M-H]- 240.968494 137.4
[M+NH4]+ 260.009593 156.9
[M+K]+ 280.938928 145.3
[M+H-H2O]+ 224.973030 130.6
[M+HCOO]- 286.973971 152.5
[M+CH3COO]- 300.989621 189.2
[M+Na-2H]- 262.950436 142.5
[M]+ 241.97522142 136.9
[M]- 241.97631858 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