CID 53863223

Methyl 7-chloro-1h-indole-5-carboxylate

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
COC(=O)C1=CC(=C2C(=C1)C=CN2)Cl
InChI
InChI=1S/C10H8ClNO2/c1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7/h2-5,12H,1H3
InChIKey
GXXVVVAPNVMAGE-UHFFFAOYSA-N
Compound name
methyl 7-chloro-1H-indole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

209.02435 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 140.4
[M+Na]+ 232.013568 152.0
[M-H]- 208.017074 143.2
[M+NH4]+ 227.058173 161.5
[M+K]+ 247.987508 147.1
[M+H-H2O]+ 192.021610 135.4
[M+HCOO]- 254.022551 159.0
[M+CH3COO]- 268.038201 181.0
[M+Na-2H]- 229.999016 146.2
[M]+ 209.02380142 144.6
[M]- 209.02489858 144.6
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