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]+ 261.04253 153.4
[M+Na]+ 283.02447 166.6
[M-H]- 259.02797 157.3
[M+NH4]+ 278.06907 170.4
[M+K]+ 298.99841 159.0
[M+H-H2O]+ 243.03251 146.5
[M+HCOO]- 305.03345 170.4
[M+CH3COO]- 319.04910 166.4
[M+Na-2H]- 281.00992 159.0
[M]+ 260.03470 156.4
[M]- 260.03580 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.