CID 62474181

Ethyl[1-(4-fluorophenyl)-3-methanesulfonylpropan-2-yl]amine hydrochloride

Structural Information

Molecular Formula
C12H18FNO2S
SMILES
CCNC(CC1=CC=C(C=C1)F)CS(=O)(=O)C
InChI
InChI=1S/C12H18FNO2S/c1-3-14-12(9-17(2,15)16)8-10-4-6-11(13)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3
InChIKey
HIUSALUNDFQTPZ-UHFFFAOYSA-N
Compound name
N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.10422 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11150 156.2
[M+Na]+ 282.09344 162.9
[M-H]- 258.09694 158.3
[M+NH4]+ 277.13804 173.3
[M+K]+ 298.06738 159.3
[M+H-H2O]+ 242.10148 148.9
[M+HCOO]- 304.10242 172.5
[M+CH3COO]- 318.11807 196.4
[M+Na-2H]- 280.07889 158.3
[M]+ 259.10367 158.1
[M]- 259.10477 158.1
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.