CID 547494

2-phenylthiazole

Structural Information

Molecular Formula
C9H7NS
SMILES
C1=CC=C(C=C1)C2=NC=CS2
InChI
InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H
InChIKey
WYKHSBAVLOPISI-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

3200
Patents

161.02992 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03720 130.7
[M+Na]+ 184.01914 145.0
[M+NH4]+ 179.06374 141.5
[M+K]+ 199.99308 136.9
[M-H]- 160.02264 135.5
[M+Na-2H]- 182.00459 140.5
[M]+ 161.02937 134.7
[M]- 161.03047 134.7
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