CID 24700034

1-chloro-3-(3-methylphenyl)propan-2-one

Structural Information

Molecular Formula
C10H11ClO
SMILES
CC1=CC(=CC=C1)CC(=O)CCl
InChI
InChI=1S/C10H11ClO/c1-8-3-2-4-9(5-8)6-10(12)7-11/h2-5H,6-7H2,1H3
InChIKey
RTQAGCNCNZVXFO-UHFFFAOYSA-N
Compound name
1-chloro-3-(3-methylphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

182.04984 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05712 136.2
[M+Na]+ 205.03906 150.5
[M+NH4]+ 200.08366 145.7
[M+K]+ 221.01300 142.8
[M-H]- 181.04256 138.8
[M+Na-2H]- 203.02451 143.9
[M]+ 182.04929 139.4
[M]- 182.05039 139.4
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