CID 2064091

68301-45-1

Structural Information

Molecular Formula
C9H6Cl2N2S
SMILES
C1=CC(=C(C=C1Cl)C2=CSC(=N2)N)Cl
InChI
InChI=1S/C9H6Cl2N2S/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKey
GJYLSGQCBJHXEA-UHFFFAOYSA-N
Compound name
4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

243.96288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.97016 148.2
[M+Na]+ 266.95210 160.2
[M-H]- 242.95560 153.7
[M+NH4]+ 261.99670 168.0
[M+K]+ 282.92604 153.4
[M+H-H2O]+ 226.96014 143.1
[M+HCOO]- 288.96108 159.1
[M+CH3COO]- 302.97673 161.4
[M+Na-2H]- 264.93755 149.0
[M]+ 243.96233 151.4
[M]- 243.96343 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe