CID 216483

37385-92-5

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C14H11ClN2O/c1-16-12-8-7-10(15)9-13(12)17(14(16)18)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
SGKDZYXVYGIVQP-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.056 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.063276 154.8
[M+Na]+ 281.045218 168.5
[M-H]- 257.048724 161.0
[M+NH4]+ 276.089823 173.3
[M+K]+ 297.019158 161.8
[M+H-H2O]+ 241.053260 147.0
[M+HCOO]- 303.054201 174.1
[M+CH3COO]- 317.069851 168.8
[M+Na-2H]- 279.030666 160.5
[M]+ 258.05545142 160.2
[M]- 258.05654858 160.2
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.