CID 3061793

Brn 5558661

Structural Information

Molecular Formula
C13H9ClN2O2
SMILES
C1=CC(=CC=C1N2C3=C(C=CC(=C3)Cl)NC2=O)O
InChI
InChI=1S/C13H9ClN2O2/c14-8-1-6-11-12(7-8)16(13(18)15-11)9-2-4-10(17)5-3-9/h1-7,17H,(H,15,18)
InChIKey
WZNWXKUJULRVJA-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.03525 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.042526 153.4
[M+Na]+ 283.024468 166.6
[M-H]- 259.027974 157.3
[M+NH4]+ 278.069073 170.4
[M+K]+ 298.998408 159.0
[M+H-H2O]+ 243.032510 146.5
[M+HCOO]- 305.033451 170.4
[M+CH3COO]- 319.049101 166.4
[M+Na-2H]- 281.009916 159.0
[M]+ 260.03470142 156.4
[M]- 260.03579858 156.4
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.