CID 3061775

Brn 5575528

Structural Information

Molecular Formula
C14H10Cl2N2O
SMILES
CN1C2=CC(=C(C=C2N(C1=O)C3=CC=CC=C3)Cl)Cl
InChI
InChI=1S/C14H10Cl2N2O/c1-17-12-7-10(15)11(16)8-13(12)18(14(17)19)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
UKPJHDPCCCMIRP-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-methyl-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.01703 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.024306 161.5
[M+Na]+ 315.006248 176.3
[M-H]- 291.009754 167.1
[M+NH4]+ 310.050853 179.3
[M+K]+ 330.980188 168.6
[M+H-H2O]+ 275.014290 154.2
[M+HCOO]- 337.015231 175.5
[M+CH3COO]- 351.030881 174.9
[M+Na-2H]- 312.991696 165.5
[M]+ 292.01648142 168.3
[M]- 292.01757858 168.3
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.