CID 206352

Thiazole, 4,5-dihydro-2-(2-chlorophenyl)-

Structural Information

Molecular Formula
C9H8ClNS
SMILES
C1CSC(=N1)C2=CC=CC=C2Cl
InChI
InChI=1S/C9H8ClNS/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6H2
InChIKey
HBCDHEZFSLCGSD-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.00659 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01387 138.3
[M+Na]+ 219.99581 148.5
[M-H]- 195.99931 144.3
[M+NH4]+ 215.04041 159.8
[M+K]+ 235.96975 143.8
[M+H-H2O]+ 180.00385 132.6
[M+HCOO]- 242.00479 152.8
[M+CH3COO]- 256.02044 152.2
[M+Na-2H]- 217.98126 140.8
[M]+ 197.00604 140.2
[M]- 197.00714 140.2
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