CID 137935851

2253639-37-9

Structural Information

Molecular Formula
C11H11ClF2O2S
SMILES
C1C(CC1(F)F)(CS(=O)(=O)Cl)C2=CC=CC=C2
InChI
InChI=1S/C11H11ClF2O2S/c12-17(15,16)8-10(6-11(13,14)7-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
VPPMRDNLDNULRH-UHFFFAOYSA-N
Compound name
(3,3-difluoro-1-phenylcyclobutyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.01364 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02092 147.6
[M+Na]+ 303.00286 156.3
[M-H]- 279.00636 152.0
[M+NH4]+ 298.04746 162.3
[M+K]+ 318.97680 154.0
[M+H-H2O]+ 263.01090 137.5
[M+HCOO]- 325.01184 157.6
[M+CH3COO]- 339.02749 194.6
[M+Na-2H]- 300.98831 152.8
[M]+ 280.01309 157.9
[M]- 280.01419 157.9
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.