CID 15284837

6-bromo-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
C1=CC2=C(C=C1Br)NC=C2C(=O)O
InChI
InChI=1S/C9H6BrNO2/c10-5-1-2-6-7(9(12)13)4-11-8(6)3-5/h1-4,11H,(H,12,13)
InChIKey
INNZWYJJSSRJET-UHFFFAOYSA-N
Compound name
6-bromo-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

211
Patents

238.95819 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96547 144.2
[M+Na]+ 261.94741 147.5
[M+NH4]+ 256.99201 148.6
[M+K]+ 277.92135 149.5
[M-H]- 237.95091 143.3
[M+Na-2H]- 259.93286 146.4
[M]+ 238.95764 143.1
[M]- 238.95874 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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