CID 124505177

4-chloro-7-methoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
COC1=C2C(=C(C=C1)Cl)C=C(N2)C(=O)O
InChI
InChI=1S/C10H8ClNO3/c1-15-8-3-2-6(11)5-4-7(10(13)14)12-9(5)8/h2-4,12H,1H3,(H,13,14)
InChIKey
FPMNNFPNZOXDMG-UHFFFAOYSA-N
Compound name
4-chloro-7-methoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01927 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02655 143.0
[M+Na]+ 248.00849 156.5
[M+NH4]+ 243.05309 150.7
[M+K]+ 263.98243 152.7
[M-H]- 224.01199 143.2
[M+Na-2H]- 245.99394 147.9
[M]+ 225.01872 145.1
[M]- 225.01982 145.1
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.