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

71
Patents

198.04475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 137.7
[M+Na]+ 221.03397 148.0
[M-H]- 197.03747 140.9
[M+NH4]+ 216.07857 158.1
[M+K]+ 237.00791 143.9
[M+H-H2O]+ 181.04201 133.9
[M+HCOO]- 243.04295 155.7
[M+CH3COO]- 257.05860 183.0
[M+Na-2H]- 219.01942 141.4
[M]+ 198.04420 140.9
[M]- 198.04530 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