CID 139026822

2361633-91-0

Structural Information

Molecular Formula
C7H9ClF2O2S
SMILES
C1C(CC12CC(C2)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H9ClF2O2S/c8-13(11,12)5-1-6(2-5)3-7(9,10)4-6/h5H,1-4H2
InChIKey
RADYECAMPMDSQQ-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[3.3]heptane-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.99799 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00527 125.3
[M+Na]+ 252.98721 131.8
[M-H]- 228.99071 128.4
[M+NH4]+ 248.03181 135.1
[M+K]+ 268.96115 133.3
[M+H-H2O]+ 212.99525 113.4
[M+HCOO]- 274.99619 132.9
[M+CH3COO]- 289.01184 195.0
[M+Na-2H]- 250.97266 130.4
[M]+ 229.99744 141.6
[M]- 229.99854 141.6
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.