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]+ 216.96555 141.0
[M+Na]+ 238.94749 154.7
[M-H]- 214.95099 148.1
[M+NH4]+ 233.99209 163.8
[M+K]+ 254.92143 148.9
[M+H-H2O]+ 198.95553 136.6
[M+HCOO]- 260.95647 154.6
[M+CH3COO]- 274.97212 155.8
[M+Na-2H]- 236.93294 140.5
[M]+ 215.95772 145.7
[M]- 215.95882 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