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]+ 172.02384 127.1
[M+Na]+ 194.00578 133.8
[M-H]- 170.00928 127.8
[M+NH4]+ 189.05038 142.4
[M+K]+ 209.97972 135.1
[M+H-H2O]+ 154.01382 116.0
[M+HCOO]- 216.01476 141.5
[M+CH3COO]- 230.03041 179.3
[M+Na-2H]- 191.99123 130.7
[M]+ 171.01601 132.7
[M]- 171.01711 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