CID 64993385

2-(chloromethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole

Structural Information

Molecular Formula
C7H5ClN2S2
SMILES
C1=CSC(=N1)C2=CSC(=N2)CCl
InChI
InChI=1S/C7H5ClN2S2/c8-3-6-10-5(4-12-6)7-9-1-2-11-7/h1-2,4H,3H2
InChIKey
TUUJWUDEIQJYMN-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.95827 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.965546 140.0
[M+Na]+ 238.947488 154.0
[M-H]- 214.950994 146.2
[M+NH4]+ 233.992093 162.0
[M+K]+ 254.921428 149.2
[M+H-H2O]+ 198.955530 135.0
[M+HCOO]- 260.956471 152.3
[M+CH3COO]- 274.972121 154.8
[M+Na-2H]- 236.932936 139.9
[M]+ 215.95772142 146.4
[M]- 215.95881858 146.4
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.