CID 126756816

3,3-difluorocyclobutane-1-sulfonamide

Structural Information

Molecular Formula
C4H7F2NO2S
SMILES
C1C(CC1(F)F)S(=O)(=O)N
InChI
InChI=1S/C4H7F2NO2S/c5-4(6)1-3(2-4)10(7,8)9/h3H,1-2H2,(H2,7,8,9)
InChIKey
GVVRHFKFEJGEDB-UHFFFAOYSA-N
Compound name
3,3-difluorocyclobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.01656 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.023836 127.1
[M+Na]+ 194.005778 133.8
[M-H]- 170.009284 127.8
[M+NH4]+ 189.050383 142.4
[M+K]+ 209.979718 135.1
[M+H-H2O]+ 154.013820 116.0
[M+HCOO]- 216.014761 141.5
[M+CH3COO]- 230.030411 179.3
[M+Na-2H]- 191.991226 130.7
[M]+ 171.01601142 132.7
[M]- 171.01710858 132.7
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

patents stripe