CID 24860

10045-42-8

Structural Information

Molecular Formula
C8H7N3O3
SMILES
COC1=CC2=C(C=C1)N=C(N2)[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O3/c1-14-5-2-3-6-7(4-5)10-8(9-6)11(12)13/h2-4H,1H3,(H,9,10)
InChIKey
OIFNPDLEMUEBIV-UHFFFAOYSA-N
Compound name
6-methoxy-2-nitro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04874 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05602 134.8
[M+Na]+ 216.03796 144.7
[M-H]- 192.04146 136.6
[M+NH4]+ 211.08256 153.2
[M+K]+ 232.01190 137.9
[M+H-H2O]+ 176.04600 132.6
[M+HCOO]- 238.04694 159.0
[M+CH3COO]- 252.06259 173.8
[M+Na-2H]- 214.02341 145.1
[M]+ 193.04819 135.3
[M]- 193.04929 135.3
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

No patent data available for this compound.