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]+ 198.074716 138.7
[M+Na]+ 220.056658 145.0
[M-H]- 196.060164 140.9
[M+NH4]+ 215.101263 156.4
[M+K]+ 236.030598 140.4
[M+H-H2O]+ 180.064700 131.1
[M+HCOO]- 242.065641 151.3
[M+CH3COO]- 256.081291 150.0
[M+Na-2H]- 218.042106 141.1
[M]+ 197.06689142 132.5
[M]- 197.06798858 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.