CID 12805128

2-(3-bromophenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC(C)(C1=CC(=CC=C1)Br)C(=O)O
InChI
InChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,13)
InChIKey
PZQVCFYGWRPVLE-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

241.99425 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.001526 145.5
[M+Na]+ 264.983468 156.4
[M-H]- 240.986974 150.7
[M+NH4]+ 260.028073 166.1
[M+K]+ 280.957408 145.5
[M+H-H2O]+ 224.991510 146.2
[M+HCOO]- 286.992451 163.9
[M+CH3COO]- 301.008101 187.4
[M+Na-2H]- 262.968916 152.3
[M]+ 241.99370142 163.8
[M]- 241.99479858 163.8
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