CID 131257516

2092756-13-1

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
COC(=O)C1=CC2=C(N1)C=C(C=C2O)Cl
InChI
InChI=1S/C10H8ClNO3/c1-15-10(14)8-4-6-7(12-8)2-5(11)3-9(6)13/h2-4,12-13H,1H3
InChIKey
JFSSGLFKNYYLRN-UHFFFAOYSA-N
Compound name
methyl 6-chloro-4-hydroxy-1H-indole-2-carboxylate
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]+ 226.026546 143.1
[M+Na]+ 248.008488 155.1
[M-H]- 224.011994 145.0
[M+NH4]+ 243.053093 163.1
[M+K]+ 263.982428 150.0
[M+H-H2O]+ 208.016530 138.6
[M+HCOO]- 270.017471 160.4
[M+CH3COO]- 284.033121 181.8
[M+Na-2H]- 245.993936 147.9
[M]+ 225.01872142 147.3
[M]- 225.01981858 147.3
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

No patent data available for this compound.