CID 2777241

2-(trifluoromethoxy)benzoyl chloride

Structural Information

Molecular Formula
C8H4ClF3O2
SMILES
C1=CC=C(C(=C1)C(=O)Cl)OC(F)(F)F
InChI
InChI=1S/C8H4ClF3O2/c9-7(13)5-3-1-2-4-6(5)14-8(10,11)12/h1-4H
InChIKey
KSHPWYXAJJCUMJ-UHFFFAOYSA-N
Compound name
2-(trifluoromethoxy)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

644
Patents

223.9852 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99248 136.4
[M+Na]+ 246.97442 146.7
[M-H]- 222.97792 136.7
[M+NH4]+ 242.01902 155.7
[M+K]+ 262.94836 143.0
[M+H-H2O]+ 206.98246 129.6
[M+HCOO]- 268.98340 151.8
[M+CH3COO]- 282.99905 185.2
[M+Na-2H]- 244.95987 142.0
[M]+ 223.98465 136.0
[M]- 223.98575 136.0
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

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