CID 21186282

3-(4-bromophenyl)-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula
C11H13BrO2
SMILES
CC(C)(CC1=CC=C(C=C1)Br)C(=O)O
InChI
InChI=1S/C11H13BrO2/c1-11(2,10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
InChIKey
WOROXVNNDXPWCP-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

256.0099 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01718 147.9
[M+Na]+ 278.99912 150.3
[M+NH4]+ 274.04372 152.0
[M+K]+ 294.97306 151.2
[M-H]- 255.00262 147.2
[M+Na-2H]- 276.98457 150.6
[M]+ 256.00935 146.8
[M]- 256.01045 146.8
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