CID 701782

123971-45-9

Structural Information

Molecular Formula
C7H5ClN2S2
SMILES
C1=C(SC(=C1)Cl)C2=CSC(=N2)N
InChI
InChI=1S/C7H5ClN2S2/c8-6-2-1-5(12-6)4-3-11-7(9)10-4/h1-3H,(H2,9,10)
InChIKey
KZOUOGWZDXYEDI-UHFFFAOYSA-N
Compound name
4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

215.95827 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.965546 141.0
[M+Na]+ 238.947488 154.7
[M-H]- 214.950994 148.1
[M+NH4]+ 233.992093 163.8
[M+K]+ 254.921428 148.9
[M+H-H2O]+ 198.955530 136.6
[M+HCOO]- 260.956471 154.6
[M+CH3COO]- 274.972121 155.8
[M+Na-2H]- 236.932936 140.5
[M]+ 215.95772142 145.7
[M]- 215.95881858 145.7
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

patents stripe