CID 167729412

(1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C6H10ClFO2S
SMILES
CC1CC(C1)(CS(=O)(=O)Cl)F
InChI
InChI=1S/C6H10ClFO2S/c1-5-2-6(8,3-5)4-11(7,9)10/h5H,2-4H2,1H3
InChIKey
LWLXBZQWYVCDEN-UHFFFAOYSA-N
Compound name
(1-fluoro-3-methylcyclobutyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.0074 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01468 128.5
[M+Na]+ 222.99662 136.5
[M-H]- 199.00012 131.2
[M+NH4]+ 218.04122 144.6
[M+K]+ 238.97056 136.2
[M+H-H2O]+ 183.00466 120.2
[M+HCOO]- 245.00560 139.2
[M+CH3COO]- 259.02125 182.3
[M+Na-2H]- 220.98207 132.8
[M]+ 200.00685 139.7
[M]- 200.00795 139.7
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.