CID 26338195

5-chloro-3-nitro-1h-indole

Structural Information

Molecular Formula
C8H5ClN2O2
SMILES
C1=CC2=C(C=C1Cl)C(=CN2)[N+](=O)[O-]
InChI
InChI=1S/C8H5ClN2O2/c9-5-1-2-7-6(3-5)8(4-10-7)11(12)13/h1-4,10H
InChIKey
COCDVZRHARWGKI-UHFFFAOYSA-N
Compound name
5-chloro-3-nitro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

196.00395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.011226 135.7
[M+Na]+ 218.993168 146.2
[M-H]- 194.996674 138.3
[M+NH4]+ 214.037773 156.1
[M+K]+ 234.967108 137.4
[M+H-H2O]+ 179.001210 135.3
[M+HCOO]- 241.002151 156.2
[M+CH3COO]- 255.017801 172.8
[M+Na-2H]- 216.978616 144.7
[M]+ 196.00340142 136.3
[M]- 196.00449858 136.3
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

patents stripe