CID 84722343

4,4-difluoro-2-methylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClF2O2S
SMILES
CC(CC(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C5H9ClF2O2S/c1-4(2-5(7)8)3-11(6,9)10/h4-5H,2-3H2,1H3
InChIKey
JRZSMGCNAWRVAQ-UHFFFAOYSA-N
Compound name
4,4-difluoro-2-methylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.99799 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00527 133.1
[M+Na]+ 228.98721 141.6
[M-H]- 204.99071 131.4
[M+NH4]+ 224.03181 153.4
[M+K]+ 244.96115 138.7
[M+H-H2O]+ 188.99525 128.2
[M+HCOO]- 250.99619 142.5
[M+CH3COO]- 265.01184 181.5
[M+Na-2H]- 226.97266 134.3
[M]+ 205.99744 135.2
[M]- 205.99854 135.2
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.