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

56
Patents

189.96669 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.97397 131.7
[M+Na]+ 212.95591 136.6
[M+NH4]+ 208.00051 136.2
[M+K]+ 228.92985 130.9
[M-H]- 188.95941 126.3
[M+Na-2H]- 210.94136 133.9
[M]+ 189.96614 130.3
[M]- 189.96724 130.3
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

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