CID 4788873

1365965-61-2

Structural Information

Molecular Formula
C11H14FNO2S
SMILES
C1CS(=O)(=O)CC1NCC2=CC=CC=C2F
InChI
InChI=1S/C11H14FNO2S/c12-11-4-2-1-3-9(11)7-13-10-5-6-16(14,15)8-10/h1-4,10,13H,5-8H2
InChIKey
INXWCIPPADGGFT-UHFFFAOYSA-N
Compound name
N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.07292 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08020 148.9
[M+Na]+ 266.06214 157.4
[M-H]- 242.06564 154.6
[M+NH4]+ 261.10674 170.4
[M+K]+ 282.03608 153.4
[M+H-H2O]+ 226.07018 142.5
[M+HCOO]- 288.07112 167.8
[M+CH3COO]- 302.08677 189.2
[M+Na-2H]- 264.04759 151.1
[M]+ 243.07237 148.2
[M]- 243.07347 148.2
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.