CID 3061813

Brn 5554959

Structural Information

Molecular Formula
C14H11ClN2S
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=S)C3=CC=CC=C3
InChI
InChI=1S/C14H11ClN2S/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
FZHOHVPNPYULCT-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-phenylbenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.03314 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04042 158.9
[M+Na]+ 297.02236 177.2
[M+NH4]+ 292.06696 169.2
[M+K]+ 312.99630 167.0
[M-H]- 273.02586 164.0
[M+Na-2H]- 295.00781 168.1
[M]+ 274.03259 164.0
[M]- 274.03369 164.0
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.