CID 3043281

55315-39-4

Structural Information

Molecular Formula
C11H8ClN5S
SMILES
C1=CC=C(C(=C1)C2=NC(=CS2)CC3=NNN=N3)Cl
InChI
InChI=1S/C11H8ClN5S/c12-9-4-2-1-3-8(9)11-13-7(6-18-11)5-10-14-16-17-15-10/h1-4,6H,5H2,(H,14,15,16,17)
InChIKey
MMMKLWQBSSENRN-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0189 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02618 156.2
[M+Na]+ 300.00812 169.6
[M-H]- 276.01162 160.1
[M+NH4]+ 295.05272 170.2
[M+K]+ 315.98206 162.7
[M+H-H2O]+ 260.01616 147.2
[M+HCOO]- 322.01710 168.4
[M+CH3COO]- 336.03275 168.3
[M+Na-2H]- 297.99357 157.2
[M]+ 277.01835 160.4
[M]- 277.01945 160.4
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.