CID 165565453

Rac-[(1s,4s)-4-aminocyclohexyl]methanesulfonyl fluoride hydrochloride

Structural Information

Molecular Formula
C7H14FNO2S
SMILES
C1CC(CCC1CS(=O)(=O)F)N
InChI
InChI=1S/C7H14FNO2S/c8-12(10,11)5-6-1-3-7(9)4-2-6/h6-7H,1-5,9H2
InChIKey
JSJIRJJVNHKEME-UHFFFAOYSA-N
Compound name
(4-aminocyclohexyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.07292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08020 138.6
[M+Na]+ 218.06214 144.6
[M-H]- 194.06564 139.8
[M+NH4]+ 213.10674 157.7
[M+K]+ 234.03608 142.0
[M+H-H2O]+ 178.07018 132.4
[M+HCOO]- 240.07112 152.6
[M+CH3COO]- 254.08677 181.0
[M+Na-2H]- 216.04759 140.4
[M]+ 195.07237 134.1
[M]- 195.07347 134.1
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.