CID 131196495

3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H6ClF3O2S
SMILES
C1C(CC1S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C5H6ClF3O2S/c6-12(10,11)4-1-3(2-4)5(7,8)9/h3-4H,1-2H2
InChIKey
OXNVVAYVSZFZNH-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.97292 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98020 129.8
[M+Na]+ 244.96214 137.9
[M-H]- 220.96564 129.9
[M+NH4]+ 240.00674 143.0
[M+K]+ 260.93608 137.2
[M+H-H2O]+ 204.97018 118.7
[M+HCOO]- 266.97112 137.3
[M+CH3COO]- 280.98677 184.9
[M+Na-2H]- 242.94759 132.8
[M]+ 221.97237 137.3
[M]- 221.97347 137.3
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.