CID 2760635

15873-40-2

Structural Information

Molecular Formula
C10H9ClO
SMILES
CC1=CC=CC=C1C=CC(=O)Cl
InChI
InChI=1S/C10H9ClO/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3
InChIKey
ISMYAVWQKWXKOM-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

180.0342 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.041476 134.7
[M+Na]+ 203.023418 143.9
[M-H]- 179.026924 138.5
[M+NH4]+ 198.068023 155.8
[M+K]+ 218.997358 139.5
[M+H-H2O]+ 163.031460 130.2
[M+HCOO]- 225.032401 154.1
[M+CH3COO]- 239.048051 179.8
[M+Na-2H]- 201.008866 140.1
[M]+ 180.03365142 136.7
[M]- 180.03474858 136.7
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