CID 236969

4-(chloromethyl)-2-phenyl-1,3-thiazole

Structural Information

Molecular Formula
C10H8ClNS
SMILES
C1=CC=C(C=C1)C2=NC(=CS2)CCl
InChI
InChI=1S/C10H8ClNS/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey
SVEGSFSFMLCNFF-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

461
Patents

209.00659 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01387 141.2
[M+Na]+ 231.99581 152.0
[M-H]- 207.99931 147.4
[M+NH4]+ 227.04041 162.3
[M+K]+ 247.96975 146.8
[M+H-H2O]+ 192.00385 135.3
[M+HCOO]- 254.00479 156.8
[M+CH3COO]- 268.02044 155.3
[M+Na-2H]- 229.98126 144.1
[M]+ 209.00604 144.8
[M]- 209.00714 144.8
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