CID 15582644

2-(3-chlorophenyl)-2-methylpropanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

198.04475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 140.4
[M+Na]+ 221.03397 153.3
[M+NH4]+ 216.07857 148.7
[M+K]+ 237.00791 147.7
[M-H]- 197.03747 141.3
[M+Na-2H]- 219.01942 146.8
[M]+ 198.04420 142.8
[M]- 198.04530 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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