CID 124672018

2091598-16-0

Structural Information

Molecular Formula
C6H10ClFO2S
SMILES
C1CC[C@@H]([C@@H](C1)F)S(=O)(=O)Cl
InChI
InChI=1S/C6H10ClFO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h5-6H,1-4H2/t5-,6+/m1/s1
InChIKey
IAGUHAITTUUZQV-RITPCOANSA-N
Compound name
(1S,2R)-2-fluorocyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.0074 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01468 135.2
[M+Na]+ 222.99662 143.3
[M-H]- 199.00012 137.5
[M+NH4]+ 218.04122 155.8
[M+K]+ 238.97056 139.8
[M+H-H2O]+ 183.00466 130.7
[M+HCOO]- 245.00560 144.8
[M+CH3COO]- 259.02125 177.6
[M+Na-2H]- 220.98207 137.9
[M]+ 200.00685 134.1
[M]- 200.00795 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.