CID 73893

Einecs 216-085-4

Structural Information

Molecular Formula
C12H14F9NO4S
SMILES
CN(CCCCOC(=O)C=C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H14F9NO4S/c1-3-8(23)26-7-5-4-6-22(2)27(24,25)12(20,21)10(15,16)9(13,14)11(17,18)19/h3H,1,4-7H2,2H3
InChIKey
PGYDZCBTWHHAQX-UHFFFAOYSA-N
Compound name
4-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]butyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

439.05 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.05728 182.5
[M+Na]+ 462.03922 184.0
[M-H]- 438.04272 180.8
[M+NH4]+ 457.08382 186.7
[M+K]+ 478.01316 186.1
[M+H-H2O]+ 422.04726 170.0
[M+HCOO]- 484.04820 192.8
[M+CH3COO]- 498.06385 227.6
[M+Na-2H]- 460.02467 183.6
[M]+ 439.04945 176.6
[M]- 439.05055 176.6
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