CID 3077897

1h-benzimidazole, 2-chloro-1-(3-thietanyl)-

Structural Information

Molecular Formula
C10H9ClN2S
SMILES
C1C(CS1)N2C3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C10H9ClN2S/c11-10-12-8-3-1-2-4-9(8)13(10)7-5-14-6-7/h1-4,7H,5-6H2
InChIKey
YJWREDIJERMORL-UHFFFAOYSA-N
Compound name
2-chloro-1-(thietan-3-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02478 134.0
[M+Na]+ 247.00672 144.8
[M-H]- 223.01022 139.5
[M+NH4]+ 242.05132 148.1
[M+K]+ 262.98066 142.6
[M+H-H2O]+ 207.01476 122.7
[M+HCOO]- 269.01570 146.8
[M+CH3COO]- 283.03135 147.6
[M+Na-2H]- 244.99217 138.1
[M]+ 224.01695 147.0
[M]- 224.01805 147.0
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

No patent data available for this compound.