CID 6445972

P-1896

Structural Information

Molecular Formula
C13H14ClNS
SMILES
CC1(CSC(=N1)/C=C/C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C13H14ClNS/c1-13(2)9-16-12(15-13)8-5-10-3-6-11(14)7-4-10/h3-8H,9H2,1-2H3/b8-5+
InChIKey
PYHJSTFJNBOBQT-VMPITWQZSA-N
Compound name
2-[(E)-2-(4-chlorophenyl)ethenyl]-4,4-dimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05354 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06082 155.7
[M+Na]+ 274.04276 169.9
[M+NH4]+ 269.08736 167.1
[M+K]+ 290.01670 158.8
[M-H]- 250.04626 159.9
[M+Na-2H]- 272.02821 164.6
[M]+ 251.05299 160.0
[M]- 251.05409 160.0
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

No patent data available for this compound.