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

51
Patents

223.00362 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.010896 142.0
[M+Na]+ 245.992838 154.1
[M-H]- 221.996344 143.8
[M+NH4]+ 241.037443 161.8
[M+K]+ 261.966778 148.4
[M+H-H2O]+ 206.000880 137.4
[M+HCOO]- 268.001821 159.4
[M+CH3COO]- 282.017471 181.6
[M+Na-2H]- 243.978286 146.7
[M]+ 223.00307142 145.5
[M]- 223.00416858 145.5
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