CID 83825991

6-bromo-4-methoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8BrNO3
SMILES
COC1=CC(=CC2=C1C=C(N2)C(=O)O)Br
InChI
InChI=1S/C10H8BrNO3/c1-15-9-3-5(11)2-7-6(9)4-8(12-7)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
ZHXDRKKSFBJBMU-UHFFFAOYSA-N
Compound name
6-bromo-4-methoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

268.96875 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97603 149.1
[M+Na]+ 291.95797 162.7
[M-H]- 267.96147 153.6
[M+NH4]+ 287.00257 169.8
[M+K]+ 307.93191 151.0
[M+H-H2O]+ 251.96601 149.5
[M+HCOO]- 313.96695 168.5
[M+CH3COO]- 327.98260 188.8
[M+Na-2H]- 289.94342 155.0
[M]+ 268.96820 169.7
[M]- 268.96930 169.7
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