CID 200788

Thiazole, 4,5-dihydro-2-phenyl-

Structural Information

Molecular Formula
C9H9NS
SMILES
C1CSC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2
InChIKey
INYWZIMQKOYAJV-UHFFFAOYSA-N
Compound name
2-phenyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

332
Patents

163.04558 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.052856 131.4
[M+Na]+ 186.034798 140.2
[M-H]- 162.038304 137.3
[M+NH4]+ 181.079403 153.2
[M+K]+ 202.008738 137.2
[M+H-H2O]+ 146.042840 125.0
[M+HCOO]- 208.043781 150.7
[M+CH3COO]- 222.059431 145.6
[M+Na-2H]- 184.020246 135.2
[M]+ 163.04503142 131.2
[M]- 163.04612858 131.2
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