CID 2731260

2-(2,4-dichloroanilino)-2-thiazoline

Structural Information

Molecular Formula
C9H8Cl2N2S
SMILES
C1CSC(=N1)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H8Cl2N2S/c10-6-1-2-8(7(11)5-6)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13)
InChIKey
WKHUCEWZQWLHHO-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.97853 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98581 149.6
[M+Na]+ 268.96775 159.8
[M-H]- 244.97125 155.0
[M+NH4]+ 264.01235 169.3
[M+K]+ 284.94169 153.7
[M+H-H2O]+ 228.97579 144.1
[M+HCOO]- 290.97673 159.7
[M+CH3COO]- 304.99238 162.2
[M+Na-2H]- 266.95320 151.1
[M]+ 245.97798 151.9
[M]- 245.97908 151.9
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.