CID 23004148

106429-59-8

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC2=C(C=C1C=O)NC(=O)N2
InChI
InChI=1S/C8H6N2O2/c11-4-5-1-2-6-7(3-5)10-8(12)9-6/h1-4H,(H2,9,10,12)
InChIKey
JHQJXBRTXLUDIM-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydrobenzimidazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

162.04292 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 128.7
[M+Na]+ 185.03214 140.5
[M-H]- 161.03564 129.1
[M+NH4]+ 180.07674 148.7
[M+K]+ 201.00608 135.8
[M+H-H2O]+ 145.04018 122.7
[M+HCOO]- 207.04112 150.9
[M+CH3COO]- 221.05677 142.8
[M+Na-2H]- 183.01759 136.7
[M]+ 162.04237 128.9
[M]- 162.04347 128.9
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