CID 54593154

2-(2-fluorobenzenesulfinyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H10FNOS
SMILES
C1=CC=C(C(=C1)F)S(=O)CCN
InChI
InChI=1S/C8H10FNOS/c9-7-3-1-2-4-8(7)12(11)6-5-10/h1-4H,5-6,10H2
InChIKey
MVWOSIPMIMLXLZ-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)sulfinylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.0467 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05398 135.1
[M+Na]+ 210.03592 143.1
[M-H]- 186.03942 137.3
[M+NH4]+ 205.08052 154.9
[M+K]+ 226.00986 139.8
[M+H-H2O]+ 170.04396 128.3
[M+HCOO]- 232.04490 153.3
[M+CH3COO]- 246.06055 182.1
[M+Na-2H]- 208.02137 137.4
[M]+ 187.04615 134.4
[M]- 187.04725 134.4
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.