CID 21692167

Heptafluoropropane-1-sulfonamide

Structural Information

Molecular Formula
C3H2F7NO2S
SMILES
C(C(F)(F)F)(C(F)(F)S(=O)(=O)N)(F)F
InChI
InChI=1S/C3H2F7NO2S/c4-1(5,2(6,7)8)3(9,10)14(11,12)13/h(H2,11,12,13)
InChIKey
FQKBJSUFBIZAKR-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

310
Patents

248.96945 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.976726 136.8
[M+Na]+ 271.958668 145.9
[M-H]- 247.962174 128.3
[M+NH4]+ 267.003273 153.1
[M+K]+ 287.932608 143.4
[M+H-H2O]+ 231.966710 127.0
[M+HCOO]- 293.967651 143.6
[M+CH3COO]- 307.983301 189.6
[M+Na-2H]- 269.944116 140.8
[M]+ 248.96890142 126.9
[M]- 248.96999858 126.9
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