CID 3061794

Brn 5575530

Structural Information

Molecular Formula
C14H11ClN2O2
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C14H11ClN2O2/c1-16-12-7-2-9(15)8-13(12)17(14(16)19)10-3-5-11(18)6-4-10/h2-8,18H,1H3
InChIKey
GNYAYTMXZXRMKU-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-hydroxyphenyl)-1-methylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0509 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.058176 158.1
[M+Na]+ 297.040118 172.1
[M-H]- 273.043624 163.5
[M+NH4]+ 292.084723 175.5
[M+K]+ 313.014058 165.2
[M+H-H2O]+ 257.048160 150.9
[M+HCOO]- 319.049101 176.1
[M+CH3COO]- 333.064751 171.6
[M+Na-2H]- 295.025566 162.7
[M]+ 274.05035142 163.5
[M]- 274.05144858 163.5
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.