CID 119031208

1803565-69-6

Structural Information

Molecular Formula
C8H14ClFO2S
SMILES
C1CCCC(CC1)(CS(=O)(=O)Cl)F
InChI
InChI=1S/C8H14ClFO2S/c9-13(11,12)7-8(10)5-3-1-2-4-6-8/h1-7H2
InChIKey
QHMXRYVSQOLXJH-UHFFFAOYSA-N
Compound name
(1-fluorocycloheptyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03871 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04599 139.7
[M+Na]+ 251.02793 144.7
[M-H]- 227.03143 142.2
[M+NH4]+ 246.07253 159.1
[M+K]+ 267.00187 145.5
[M+H-H2O]+ 211.03597 135.0
[M+HCOO]- 273.03691 148.4
[M+CH3COO]- 287.05256 183.9
[M+Na-2H]- 249.01338 143.0
[M]+ 228.03816 135.6
[M]- 228.03926 135.6
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.