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]+ 275.05818 158.1
[M+Na]+ 297.04012 172.1
[M-H]- 273.04362 163.5
[M+NH4]+ 292.08472 175.5
[M+K]+ 313.01406 165.2
[M+H-H2O]+ 257.04816 150.9
[M+HCOO]- 319.04910 176.1
[M+CH3COO]- 333.06475 171.6
[M+Na-2H]- 295.02557 162.7
[M]+ 274.05035 163.5
[M]- 274.05145 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.