CID 4714969

5-chloro-3-formyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
C1=CC2=C(C=C1Cl)C(=C(N2)C(=O)O)C=O
InChI
InChI=1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)7(4-13)9(12-8)10(14)15/h1-4,12H,(H,14,15)
InChIKey
RLWPMCOCDJKMEY-UHFFFAOYSA-N
Compound name
5-chloro-3-formyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

223.00362 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01090 142.3
[M+Na]+ 245.99284 155.9
[M+NH4]+ 241.03744 149.8
[M+K]+ 261.96678 152.0
[M-H]- 221.99634 142.2
[M+Na-2H]- 243.97829 147.2
[M]+ 223.00307 144.3
[M]- 223.00417 144.3
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