CID 157291

79128-43-1

Structural Information

Molecular Formula
C10H12FNS
SMILES
C1CNC(SC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FNS/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10,12H,1,6-7H2
InChIKey
FBTSRHZVKLIAEQ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06744 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07472 138.7
[M+Na]+ 220.05666 145.0
[M-H]- 196.06016 140.9
[M+NH4]+ 215.10126 156.4
[M+K]+ 236.03060 140.4
[M+H-H2O]+ 180.06470 131.1
[M+HCOO]- 242.06564 151.3
[M+CH3COO]- 256.08129 150.0
[M+Na-2H]- 218.04211 141.1
[M]+ 197.06689 132.5
[M]- 197.06799 132.5
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.