CID 5103145

1-(4-methylphenyl)-1h-1,3-benzodiazole-2-thiol

Structural Information

Molecular Formula
C14H12N2S
SMILES
CC1=CC=C(C=C1)N2C3=CC=CC=C3NC2=S
InChI
InChI=1S/C14H12N2S/c1-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)15-14(16)17/h2-9H,1H3,(H,15,17)
InChIKey
FHXWTJWSGIXRKE-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

240.07211 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07939 151.0
[M+Na]+ 263.06133 163.8
[M-H]- 239.06483 156.3
[M+NH4]+ 258.10593 169.6
[M+K]+ 279.03527 156.6
[M+H-H2O]+ 223.06937 144.3
[M+HCOO]- 285.07031 168.8
[M+CH3COO]- 299.08596 164.4
[M+Na-2H]- 261.04678 154.8
[M]+ 240.07156 153.5
[M]- 240.07266 153.5
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

patents stripe