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

22
Patents

196.00395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01123 135.7
[M+Na]+ 218.99317 146.2
[M-H]- 194.99667 138.3
[M+NH4]+ 214.03777 156.1
[M+K]+ 234.96711 137.4
[M+H-H2O]+ 179.00121 135.3
[M+HCOO]- 241.00215 156.2
[M+CH3COO]- 255.01780 172.8
[M+Na-2H]- 216.97862 144.7
[M]+ 196.00340 136.3
[M]- 196.00450 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