CID 15259108

1-(5-chloro-2-methylphenyl)ethanone

Structural Information

Molecular Formula
C9H9ClO
SMILES
CC1=C(C=C(C=C1)Cl)C(=O)C
InChI
InChI=1S/C9H9ClO/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5H,1-2H3
InChIKey
UEBGGERYVCEAEL-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

168.0342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04148 130.0
[M+Na]+ 191.02342 140.2
[M-H]- 167.02692 134.3
[M+NH4]+ 186.06802 152.0
[M+K]+ 206.99736 136.7
[M+H-H2O]+ 151.03146 126.0
[M+HCOO]- 213.03240 149.5
[M+CH3COO]- 227.04805 179.5
[M+Na-2H]- 189.00887 135.4
[M]+ 168.03365 132.8
[M]- 168.03475 132.8
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