CID 2783387

N-[2-fluoro-4-(methylsulfonyl)phenyl]piperidin-4-amine hydrochloride

Structural Information

Molecular Formula
C12H17FN2O2S
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)NC2CCNCC2)F
InChI
InChI=1S/C12H17FN2O2S/c1-18(16,17)10-2-3-12(11(13)8-10)15-9-4-6-14-7-5-9/h2-3,8-9,14-15H,4-7H2,1H3
InChIKey
MULJUZGQWIPXND-UHFFFAOYSA-N
Compound name
N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0995 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10678 158.3
[M+Na]+ 295.08872 164.2
[M-H]- 271.09222 160.3
[M+NH4]+ 290.13332 172.5
[M+K]+ 311.06266 159.1
[M+H-H2O]+ 255.09676 150.2
[M+HCOO]- 317.09770 170.2
[M+CH3COO]- 331.11335 193.8
[M+Na-2H]- 293.07417 160.5
[M]+ 272.09895 153.3
[M]- 272.10005 153.3
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.