CID 3009959

1h-benzimidazol-2-yl(phenyl)methanethiol

Structural Information

Molecular Formula
C14H12N2S
SMILES
C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)S
InChI
InChI=1S/C14H12N2S/c17-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)16-14/h1-9,13,17H,(H,15,16)
InChIKey
RIZNAIVMXSZONG-UHFFFAOYSA-N
Compound name
1H-benzimidazol-2-yl(phenyl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.07211 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07939 150.9
[M+Na]+ 263.06133 161.2
[M-H]- 239.06483 155.5
[M+NH4]+ 258.10593 168.8
[M+K]+ 279.03527 155.2
[M+H-H2O]+ 223.06937 143.8
[M+HCOO]- 285.07031 167.5
[M+CH3COO]- 299.08596 163.5
[M+Na-2H]- 261.04678 155.1
[M]+ 240.07156 152.6
[M]- 240.07266 152.6
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.