CID 59141970

2-(4-chloro-2,6-dimethylphenyl)acetic acid

Structural Information

Molecular Formula
C10H11ClO2
SMILES
CC1=CC(=CC(=C1CC(=O)O)C)Cl
InChI
InChI=1S/C10H11ClO2/c1-6-3-8(11)4-7(2)9(6)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey
JGDXDPYHIIUBEM-UHFFFAOYSA-N
Compound name
2-(4-chloro-2,6-dimethylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

198.04475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.052026 137.7
[M+Na]+ 221.033968 148.0
[M-H]- 197.037474 140.9
[M+NH4]+ 216.078573 158.1
[M+K]+ 237.007908 143.9
[M+H-H2O]+ 181.042010 133.9
[M+HCOO]- 243.042951 155.7
[M+CH3COO]- 257.058601 183.0
[M+Na-2H]- 219.019416 141.4
[M]+ 198.04420142 140.9
[M]- 198.04529858 140.9
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