CID 50986327

2-(2-chlorophenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H11ClO2
SMILES
CC(C)(C1=CC=CC=C1Cl)C(=O)O
InChI
InChI=1S/C10H11ClO2/c1-10(2,9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,13)
InChIKey
SPKRPQSYTKMVHB-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

198.04475 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 139.0
[M+Na]+ 221.03397 147.8
[M-H]- 197.03747 141.8
[M+NH4]+ 216.07857 158.8
[M+K]+ 237.00791 144.1
[M+H-H2O]+ 181.04201 135.2
[M+HCOO]- 243.04295 155.4
[M+CH3COO]- 257.05860 181.0
[M+Na-2H]- 219.01942 144.7
[M]+ 198.04420 141.0
[M]- 198.04530 141.0
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