CID 58223412

(3,3-difluorocyclobutyl)methyl methanesulfonate

Structural Information

Molecular Formula
C6H10F2O3S
SMILES
CS(=O)(=O)OCC1CC(C1)(F)F
InChI
InChI=1S/C6H10F2O3S/c1-12(9,10)11-4-5-2-6(7,8)3-5/h5H,2-4H2,1H3
InChIKey
POJIPIRETMFFIV-UHFFFAOYSA-N
Compound name
(3,3-difluorocyclobutyl)methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

200.03188 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03916 132.4
[M+Na]+ 223.02110 139.2
[M-H]- 199.02460 133.5
[M+NH4]+ 218.06570 147.2
[M+K]+ 238.99504 140.9
[M+H-H2O]+ 183.02914 121.7
[M+HCOO]- 245.03008 146.3
[M+CH3COO]- 259.04573 183.2
[M+Na-2H]- 221.00655 136.1
[M]+ 200.03133 142.0
[M]- 200.03243 142.0
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

patents stripe