CID 4777832

6-bromo-3-formyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H6BrNO3
SMILES
C1=CC2=C(C=C1Br)NC(=C2C=O)C(=O)O
InChI
InChI=1S/C10H6BrNO3/c11-5-1-2-6-7(4-13)9(10(14)15)12-8(6)3-5/h1-4,12H,(H,14,15)
InChIKey
YGJUHWGIMPOPPF-UHFFFAOYSA-N
Compound name
6-bromo-3-formyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.95312 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.96040 147.7
[M+Na]+ 289.94234 161.6
[M-H]- 265.94584 152.2
[M+NH4]+ 284.98694 168.4
[M+K]+ 305.91628 149.4
[M+H-H2O]+ 249.95038 148.2
[M+HCOO]- 311.95132 167.3
[M+CH3COO]- 325.96697 188.0
[M+Na-2H]- 287.92779 153.7
[M]+ 266.95257 167.6
[M]- 266.95367 167.6
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

No patent data available for this compound.