CID 83156252

1-(4-chloro-1,3-thiazol-2-yl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C10H6ClN3S
SMILES
C1=CC=C2C(=C1)N=CN2C3=NC(=CS3)Cl
InChI
InChI=1S/C10H6ClN3S/c11-9-5-15-10(13-9)14-6-12-7-3-1-2-4-8(7)14/h1-6H
InChIKey
RTKMLTSSLDGMKN-UHFFFAOYSA-N
Compound name
2-(benzimidazol-1-yl)-4-chloro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.9971 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00438 146.9
[M+Na]+ 257.98632 161.4
[M-H]- 233.98982 152.6
[M+NH4]+ 253.03092 167.5
[M+K]+ 273.96026 156.0
[M+H-H2O]+ 217.99436 140.2
[M+HCOO]- 279.99530 162.2
[M+CH3COO]- 294.01095 161.4
[M+Na-2H]- 255.97177 149.9
[M]+ 234.99655 153.4
[M]- 234.99765 153.4
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.