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]+ 267.960396 147.7
[M+Na]+ 289.942338 161.6
[M-H]- 265.945844 152.2
[M+NH4]+ 284.986943 168.4
[M+K]+ 305.916278 149.4
[M+H-H2O]+ 249.950380 148.2
[M+HCOO]- 311.951321 167.3
[M+CH3COO]- 325.966971 188.0
[M+Na-2H]- 287.927786 153.7
[M]+ 266.95257142 167.6
[M]- 266.95366858 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.