CID 21788840

329794-40-3

Structural Information

Molecular Formula
C9H6ClNS
SMILES
C1=CC=C(C=C1)C2=CN=C(S2)Cl
InChI
InChI=1S/C9H6ClNS/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H
InChIKey
UNVPEJONCUTPSB-UHFFFAOYSA-N
Compound name
2-chloro-5-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

194.99095 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.99823 136.6
[M+Na]+ 217.98017 147.9
[M-H]- 193.98367 143.0
[M+NH4]+ 213.02477 158.3
[M+K]+ 233.95411 142.9
[M+H-H2O]+ 177.98821 131.0
[M+HCOO]- 239.98915 152.6
[M+CH3COO]- 254.00480 151.2
[M+Na-2H]- 215.96562 140.1
[M]+ 194.99040 140.0
[M]- 194.99150 140.0
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