CID 165984108

[3-(difluoromethyl)bicyclo[1.1.1]pentan-1-yl]methanesulfonyl chloride

Structural Information

Molecular Formula
C7H9ClF2O2S
SMILES
C1C2(CC1(C2)C(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H9ClF2O2S/c8-13(11,12)4-6-1-7(2-6,3-6)5(9)10/h5H,1-4H2
InChIKey
LXJLLXGQIJSFCJ-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.99799 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00527 149.4
[M+Na]+ 252.98721 153.2
[M-H]- 228.99071 149.9
[M+NH4]+ 248.03181 154.5
[M+K]+ 268.96115 157.1
[M+H-H2O]+ 212.99525 136.1
[M+HCOO]- 274.99619 152.6
[M+CH3COO]- 289.01184 211.5
[M+Na-2H]- 250.97266 154.4
[M]+ 229.99744 175.1
[M]- 229.99854 175.1
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.