CID 1630820

N-phenacylthiazolium bromide

Structural Information

Molecular Formula
C11H10NOS
SMILES
C1=CC=C(C=C1)C(=O)C[N+]2=CSC=C2
InChI
InChI=1S/C11H10NOS/c13-11(8-12-6-7-14-9-12)10-4-2-1-3-5-10/h1-7,9H,8H2/q+1
InChIKey
IBDBVEYUXOTRAO-UHFFFAOYSA-N
Compound name
1-phenyl-2-(1,3-thiazol-3-ium-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

1504
Patents

204.04831 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05559 143.7
[M+Na]+ 227.03753 152.1
[M-H]- 203.04103 150.0
[M+NH4]+ 222.08213 163.3
[M+K]+ 243.01147 143.4
[M+H-H2O]+ 187.04557 139.6
[M+HCOO]- 249.04651 162.8
[M+CH3COO]- 263.06216 174.9
[M+Na-2H]- 225.02298 148.6
[M]+ 204.04776 144.1
[M]- 204.04886 144.1
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