CID 75808

2-chloro-1-(2,4-dimethylphenyl)ethanone

Structural Information

Molecular Formula
C10H11ClO
SMILES
CC1=CC(=C(C=C1)C(=O)CCl)C
InChI
InChI=1S/C10H11ClO/c1-7-3-4-9(8(2)5-7)10(12)6-11/h3-5H,6H2,1-2H3
InChIKey
SJMUGKXTDUSEOC-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,4-dimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

182.04984 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.057116 134.8
[M+Na]+ 205.039058 144.6
[M-H]- 181.042564 138.9
[M+NH4]+ 200.083663 156.2
[M+K]+ 221.012998 140.9
[M+H-H2O]+ 165.047100 130.6
[M+HCOO]- 227.048041 154.0
[M+CH3COO]- 241.063691 182.5
[M+Na-2H]- 203.024506 139.6
[M]+ 182.04929142 138.0
[M]- 182.05038858 138.0
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