CID 22106721

38692-72-7

Structural Information

Molecular Formula
C8H7BrO3
SMILES
C1=CC(=C(C=C1Br)CC(=O)O)O
InChI
InChI=1S/C8H7BrO3/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKey
SKGHTMGJWQZJEI-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

229.95786 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 138.7
[M+Na]+ 252.94708 150.2
[M-H]- 228.95058 142.8
[M+NH4]+ 247.99168 159.0
[M+K]+ 268.92102 139.0
[M+H-H2O]+ 212.95512 139.2
[M+HCOO]- 274.95606 157.8
[M+CH3COO]- 288.97171 182.1
[M+Na-2H]- 250.93253 144.7
[M]+ 229.95731 156.6
[M]- 229.95841 156.6
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