CID 10933679

2-(4-bromophenyl)-2-methylpropanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

315
Patents

241.99425 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 145.5
[M+Na]+ 264.98347 156.4
[M-H]- 240.98697 150.7
[M+NH4]+ 260.02807 166.1
[M+K]+ 280.95741 145.5
[M+H-H2O]+ 224.99151 146.2
[M+HCOO]- 286.99245 163.9
[M+CH3COO]- 301.00810 187.4
[M+Na-2H]- 262.96892 152.3
[M]+ 241.99370 163.8
[M]- 241.99480 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

literature stripe

Patent stripe

patents stripe