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

290
Patents

248.96945 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.97673 136.8
[M+Na]+ 271.95867 145.9
[M-H]- 247.96217 128.3
[M+NH4]+ 267.00327 153.1
[M+K]+ 287.93261 143.4
[M+H-H2O]+ 231.96671 127.0
[M+HCOO]- 293.96765 143.6
[M+CH3COO]- 307.98330 189.6
[M+Na-2H]- 269.94412 140.8
[M]+ 248.96890 126.9
[M]- 248.97000 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