CID 58557426

3,3-difluorocyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H5ClF2O2S
SMILES
C1C(CC1(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C4H5ClF2O2S/c5-10(8,9)3-1-4(6,7)2-3/h3H,1-2H2
InChIKey
QXYNIWCYMQIZBV-UHFFFAOYSA-N
Compound name
3,3-difluorocyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

189.96669 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.973966 121.7
[M+Na]+ 212.955908 130.5
[M-H]- 188.959414 123.3
[M+NH4]+ 208.000513 138.0
[M+K]+ 228.929848 130.2
[M+H-H2O]+ 172.963950 112.8
[M+HCOO]- 234.964891 132.0
[M+CH3COO]- 248.980541 179.1
[M+Na-2H]- 210.941356 126.4
[M]+ 189.96614142 131.0
[M]- 189.96723858 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe