CID 22321562

4-chloro-5-methoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
COC1=C(C2=C(C=C1)NC(=C2)C(=O)O)Cl
InChI
InChI=1S/C10H8ClNO3/c1-15-8-3-2-6-5(9(8)11)4-7(12-6)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
AXMULSMCSSBVRM-UHFFFAOYSA-N
Compound name
4-chloro-5-methoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 142.9
[M+Na]+ 248.00849 154.8
[M-H]- 224.01199 144.7
[M+NH4]+ 243.05309 162.8
[M+K]+ 263.98243 149.6
[M+H-H2O]+ 208.01653 138.3
[M+HCOO]- 270.01747 160.2
[M+CH3COO]- 284.03312 182.5
[M+Na-2H]- 245.99394 147.6
[M]+ 225.01872 147.1
[M]- 225.01982 147.1
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

patents stripe