CID 82415364

1553231-99-4

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CC(=C2C(=C1)NC(=O)N2)C=O

InChI

InChI=1S/C8H6N2O2/c11-4-5-2-1-3-6-7(5)10-8(12)9-6/h1-4H,(H2,9,10,12)

InChIKey

HQVAAEWHVALQSF-UHFFFAOYSA-N

Compound name

2-oxo-1,3-dihydrobenzimidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.04292 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.05020	130.1
[M+Na]+	185.03214	143.5
[M+NH4]+	180.07674	137.4
[M+K]+	201.00608	139.5
[M-H]-	161.03564	129.8
[M+Na-2H]-	183.01759	135.8
[M]+	162.04237	131.7
[M]-	162.04347	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe