CID 208191

2-chloro-5-methyl-4-phenylthiazole

Structural Information

Molecular Formula
C10H8ClNS
SMILES
CC1=C(N=C(S1)Cl)C2=CC=CC=C2
InChI
InChI=1S/C10H8ClNS/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
VSKVTXRYYVUURK-UHFFFAOYSA-N
Compound name
2-chloro-5-methyl-4-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

209.00659 Da
Monoisotopic Mass

4.0
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

No literature data available for this compound.

Patent stripe

patents stripe