CID 16227522

2-cyclopropyl-5-nitro-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1CC1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O2/c14-13(15)7-3-4-8-9(5-7)12-10(11-8)6-1-2-6/h3-6H,1-2H2,(H,11,12)
InChIKey
QKWXLTTXVGJHOZ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-nitro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

203.06947 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 138.6
[M+Na]+ 226.05869 149.6
[M-H]- 202.06219 143.8
[M+NH4]+ 221.10329 151.8
[M+K]+ 242.03263 140.1
[M+H-H2O]+ 186.06673 136.0
[M+HCOO]- 248.06767 162.2
[M+CH3COO]- 262.08332 179.9
[M+Na-2H]- 224.04414 147.8
[M]+ 203.06892 139.2
[M]- 203.07002 139.2
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