CID 600269

3-methyl-5-phenylisothiazole

Structural Information

Molecular Formula
C10H9NS
SMILES
CC1=NSC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C10H9NS/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
UAHWBAYZJSQQJY-UHFFFAOYSA-N
Compound name
3-methyl-5-phenyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

175.04558 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 135.2
[M+Na]+ 198.03480 149.7
[M+NH4]+ 193.07940 145.8
[M+K]+ 214.00874 141.5
[M-H]- 174.03830 140.0
[M+Na-2H]- 196.02025 144.4
[M]+ 175.04503 139.3
[M]- 175.04613 139.3
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