CID 870214

78706-12-4

Structural Information

Molecular Formula
C12H10N2S
SMILES
CC1=CC=C(S1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C12H10N2S/c1-8-6-7-11(15-8)12-13-9-4-2-3-5-10(9)14-12/h2-7H,1H3,(H,13,14)
InChIKey
VKEYVDPRFIYFDZ-UHFFFAOYSA-N
Compound name
2-(5-methylthiophen-2-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

214.05647 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06375 144.3
[M+Na]+ 237.04569 157.0
[M-H]- 213.04919 150.0
[M+NH4]+ 232.09029 165.8
[M+K]+ 253.01963 151.7
[M+H-H2O]+ 197.05373 138.5
[M+HCOO]- 259.05467 163.7
[M+CH3COO]- 273.07032 158.6
[M+Na-2H]- 235.03114 146.9
[M]+ 214.05592 147.6
[M]- 214.05702 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe