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

52
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 142.0
[M+Na]+ 245.99284 154.1
[M-H]- 221.99634 143.8
[M+NH4]+ 241.03744 161.8
[M+K]+ 261.96678 148.4
[M+H-H2O]+ 206.00088 137.4
[M+HCOO]- 268.00182 159.4
[M+CH3COO]- 282.01747 181.6
[M+Na-2H]- 243.97829 146.7
[M]+ 223.00307 145.5
[M]- 223.00417 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