CID 267810

2-chloro-5,6-dinitrobenzimidazole

Structural Information

Molecular Formula
C7H3ClN4O4
SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])N=C(N2)Cl
InChI
InChI=1S/C7H3ClN4O4/c8-7-9-3-1-5(11(13)14)6(12(15)16)2-4(3)10-7/h1-2H,(H,9,10)
InChIKey
LPHPDNLKJSQDQG-UHFFFAOYSA-N
Compound name
2-chloro-5,6-dinitro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

241.98428 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.99156 146.0
[M+Na]+ 264.97350 154.8
[M-H]- 240.97700 147.4
[M+NH4]+ 260.01810 161.4
[M+K]+ 280.94744 142.9
[M+H-H2O]+ 224.98154 148.8
[M+HCOO]- 286.98248 165.6
[M+CH3COO]- 300.99813 176.4
[M+Na-2H]- 262.95895 156.6
[M]+ 241.98373 145.0
[M]- 241.98483 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe