CID 8027292

Methyl 4,5-dichloro-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C10H7Cl2NO2
SMILES
COC(=O)C1=CC2=C(N1)C=CC(=C2Cl)Cl
InChI
InChI=1S/C10H7Cl2NO2/c1-15-10(14)8-4-5-7(13-8)3-2-6(11)9(5)12/h2-4,13H,1H3
InChIKey
FCGXUKBYUAWSIF-UHFFFAOYSA-N
Compound name
methyl 4,5-dichloro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

242.98538 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99266 146.2
[M+Na]+ 265.97460 159.0
[M-H]- 241.97810 148.6
[M+NH4]+ 261.01920 166.6
[M+K]+ 281.94854 152.8
[M+H-H2O]+ 225.98264 142.0
[M+HCOO]- 287.98358 159.6
[M+CH3COO]- 301.99923 186.8
[M+Na-2H]- 263.96005 150.5
[M]+ 242.98483 151.7
[M]- 242.98593 151.7
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