CID 155970587

[4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride

Structural Information

Molecular Formula
C7H12ClFO3S
SMILES
C1COCCC1(CF)CS(=O)(=O)Cl
InChI
InChI=1S/C7H12ClFO3S/c8-13(10,11)6-7(5-9)1-3-12-4-2-7/h1-6H2
InChIKey
NMPREDPCIJOVLZ-UHFFFAOYSA-N
Compound name
[4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01797 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02525 141.3
[M+Na]+ 253.00719 148.7
[M-H]- 229.01069 144.0
[M+NH4]+ 248.05179 161.1
[M+K]+ 268.98113 146.9
[M+H-H2O]+ 213.01523 137.2
[M+HCOO]- 275.01617 150.2
[M+CH3COO]- 289.03182 181.1
[M+Na-2H]- 250.99264 146.9
[M]+ 230.01742 142.5
[M]- 230.01852 142.5
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.