CID 2760632

10166-09-3

Structural Information

Molecular Formula
C9H9ClO
SMILES
CC1=CC=CC=C1CC(=O)Cl
InChI
InChI=1S/C9H9ClO/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3
InChIKey
FKMIBYMTHOJWCY-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

407
Patents

168.0342 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.041476 131.0
[M+Na]+ 191.023418 140.3
[M-H]- 167.026924 134.9
[M+NH4]+ 186.068023 152.7
[M+K]+ 206.997358 136.8
[M+H-H2O]+ 151.031460 126.7
[M+HCOO]- 213.032401 150.5
[M+CH3COO]- 227.048051 178.3
[M+Na-2H]- 189.008866 137.0
[M]+ 168.03365142 133.5
[M]- 168.03474858 133.5
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