CID 3021493

Brn 5078251

Structural Information

Molecular Formula
C9H7ClN6O
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=NNN=N3
InChI
InChI=1S/C9H7ClN6O/c1-15-6-3-2-5(10)4-7(6)16(9(15)17)8-11-13-14-12-8/h2-4H,1H3,(H,11,12,13,14)
InChIKey
LNUFWLFTNCDSQK-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-(2H-tetrazol-5-yl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.03699 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04427 152.5
[M+Na]+ 273.02621 167.3
[M-H]- 249.02971 152.9
[M+NH4]+ 268.07081 166.7
[M+K]+ 289.00015 160.9
[M+H-H2O]+ 233.03425 142.8
[M+HCOO]- 295.03519 167.0
[M+CH3COO]- 309.05084 164.7
[M+Na-2H]- 271.01166 156.4
[M]+ 250.03644 156.6
[M]- 250.03754 156.6
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.