CID 129948801

1227577-16-3

Structural Information

Molecular Formula
C10H8BrNO3
SMILES
C1=CC(=C2C(=C1O)C(=CN2)CC(=O)O)Br
InChI
InChI=1S/C10H8BrNO3/c11-6-1-2-7(13)9-5(3-8(14)15)4-12-10(6)9/h1-2,4,12-13H,3H2,(H,14,15)
InChIKey
IGSGJSSTEXNNDJ-UHFFFAOYSA-N
Compound name
2-(7-bromo-4-hydroxy-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.96875 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97603 152.9
[M+Na]+ 291.95797 155.4
[M+NH4]+ 287.00257 156.2
[M+K]+ 307.93191 158.0
[M-H]- 267.96147 151.1
[M+Na-2H]- 289.94342 153.5
[M]+ 268.96820 151.3
[M]- 268.96930 151.3
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

No patent data available for this compound.