CID 260064

1h-benzimidazole-4,7-dione

Structural Information

Molecular Formula
C7H4N2O2
SMILES
C1=CC(=O)C2=C(C1=O)NC=N2
InChI
InChI=1S/C7H4N2O2/c10-4-1-2-5(11)7-6(4)8-3-9-7/h1-3H,(H,8,9)
InChIKey
UVXXFOQQHBSTIC-UHFFFAOYSA-N
Compound name
1H-benzimidazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

93
Patents

148.02728 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03456 125.9
[M+Na]+ 171.01650 136.5
[M-H]- 147.02000 127.0
[M+NH4]+ 166.06110 146.9
[M+K]+ 186.99044 133.4
[M+H-H2O]+ 131.02454 119.7
[M+HCOO]- 193.02548 147.0
[M+CH3COO]- 207.04113 170.4
[M+Na-2H]- 169.00195 132.9
[M]+ 148.02673 124.6
[M]- 148.02783 124.6
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