CID 57472

2-(4-bromophenyl)butanoic acid

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CCC(C1=CC=C(C=C1)Br)C(=O)O
InChI
InChI=1S/C10H11BrO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,13)
InChIKey
XVEFRABIRRNWFO-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

169
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 142.6
[M+Na]+ 264.98347 145.3
[M+NH4]+ 260.02807 147.0
[M+K]+ 280.95741 146.0
[M-H]- 240.98697 142.4
[M+Na-2H]- 262.96892 145.4
[M]+ 241.99370 141.6
[M]- 241.99480 141.6
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