CID 24721648

88491-44-5

Structural Information

Molecular Formula
C8H7BrO3
SMILES
C1=CC(=C(C=C1O)Br)CC(=O)O
InChI
InChI=1S/C8H7BrO3/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4,10H,3H2,(H,11,12)
InChIKey
DYIKUAMKHXANMT-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

229.95786 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.965136 138.7
[M+Na]+ 252.947078 150.2
[M-H]- 228.950584 142.8
[M+NH4]+ 247.991683 159.0
[M+K]+ 268.921018 139.0
[M+H-H2O]+ 212.955120 139.2
[M+HCOO]- 274.956061 157.8
[M+CH3COO]- 288.971711 182.1
[M+Na-2H]- 250.932526 144.7
[M]+ 229.95731142 156.6
[M]- 229.95840858 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