CID 69202839

3-(4-bromo-2-methylphenyl)propanoic acid

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC1=C(C=CC(=C1)Br)CCC(=O)O
InChI
InChI=1S/C10H11BrO2/c1-7-6-9(11)4-2-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKey
RATJZPRBPBDIQH-UHFFFAOYSA-N
Compound name
3-(4-bromo-2-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

241.99425 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 143.4
[M+Na]+ 264.98347 146.7
[M+NH4]+ 260.02807 147.9
[M+K]+ 280.95741 146.9
[M-H]- 240.98697 143.4
[M+Na-2H]- 262.96892 146.3
[M]+ 241.99370 142.6
[M]- 241.99480 142.6
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