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]+ 236.004376 146.9
[M+Na]+ 257.986318 161.4
[M-H]- 233.989824 152.6
[M+NH4]+ 253.030923 167.5
[M+K]+ 273.960258 156.0
[M+H-H2O]+ 217.994360 140.2
[M+HCOO]- 279.995301 162.2
[M+CH3COO]- 294.010951 161.4
[M+Na-2H]- 255.971766 149.9
[M]+ 234.99655142 153.4
[M]- 234.99764858 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.