CID 59267539

4-bromo-1h-indole-7-carboxylic acid

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
C1=CC(=C2C=CNC2=C1C(=O)O)Br
InChI
InChI=1S/C9H6BrNO2/c10-7-2-1-6(9(12)13)8-5(7)3-4-11-8/h1-4,11H,(H,12,13)
InChIKey
CDTILRQKJWYBOM-UHFFFAOYSA-N
Compound name
4-bromo-1H-indole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

238.95819 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96547 142.4
[M+Na]+ 261.94741 155.9
[M-H]- 237.95091 146.8
[M+NH4]+ 256.99201 164.1
[M+K]+ 277.92135 143.8
[M+H-H2O]+ 221.95545 143.1
[M+HCOO]- 283.95639 162.0
[M+CH3COO]- 297.97204 182.8
[M+Na-2H]- 259.93286 149.5
[M]+ 238.95764 161.0
[M]- 238.95874 161.0
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