CID 12232199

1-(3-chloro-4-methoxy-5-methylphenyl)ethan-1-one

Structural Information

Molecular Formula
C10H11ClO2
SMILES
CC1=CC(=CC(=C1OC)Cl)C(=O)C
InChI
InChI=1S/C10H11ClO2/c1-6-4-8(7(2)12)5-9(11)10(6)13-3/h4-5H,1-3H3
InChIKey
RTBXCVSQJRFGIG-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04475 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 138.3
[M+Na]+ 221.03397 152.8
[M+NH4]+ 216.07857 147.1
[M+K]+ 237.00791 146.1
[M-H]- 197.03747 140.4
[M+Na-2H]- 219.01942 145.0
[M]+ 198.04420 141.3
[M]- 198.04530 141.3
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

No patent data available for this compound.