CID 698890

4-(4-chlorophenyl)-2-methyl-1,3-thiazole

Structural Information

Molecular Formula
C10H8ClNS
SMILES
CC1=NC(=CS1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H8ClNS/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKey
FOCILOSWFFTFNL-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

54
Patents

209.00659 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01387 140.9
[M+Na]+ 231.99581 152.6
[M-H]- 207.99931 147.5
[M+NH4]+ 227.04041 162.3
[M+K]+ 247.96975 147.4
[M+H-H2O]+ 192.00385 135.3
[M+HCOO]- 254.00479 156.5
[M+CH3COO]- 268.02044 155.4
[M+Na-2H]- 229.98126 143.2
[M]+ 209.00604 145.0
[M]- 209.00714 145.0
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