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

39
Patents

203.06947 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 138.6
[M+Na]+ 226.058688 149.6
[M-H]- 202.062194 143.8
[M+NH4]+ 221.103293 151.8
[M+K]+ 242.032628 140.1
[M+H-H2O]+ 186.066730 136.0
[M+HCOO]- 248.067671 162.2
[M+CH3COO]- 262.083321 179.9
[M+Na-2H]- 224.044136 147.8
[M]+ 203.06892142 139.2
[M]- 203.07001858 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