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

330
Patents

168.0342 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04148 131.0
[M+Na]+ 191.02342 140.3
[M-H]- 167.02692 134.9
[M+NH4]+ 186.06802 152.7
[M+K]+ 206.99736 136.8
[M+H-H2O]+ 151.03146 126.7
[M+HCOO]- 213.03240 150.5
[M+CH3COO]- 227.04805 178.3
[M+Na-2H]- 189.00887 137.0
[M]+ 168.03365 133.5
[M]- 168.03475 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