CID 131257516

Methyl 6-chloro-4-hydroxy-1h-indole-2-carboxylate

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]+ 226.02655 143.1
[M+Na]+ 248.00849 155.1
[M-H]- 224.01199 145.0
[M+NH4]+ 243.05309 163.1
[M+K]+ 263.98243 150.0
[M+H-H2O]+ 208.01653 138.6
[M+HCOO]- 270.01747 160.4
[M+CH3COO]- 284.03312 181.8
[M+Na-2H]- 245.99394 147.9
[M]+ 225.01872 147.3
[M]- 225.01982 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.