CID 102246

2357-60-0

Structural Information

Molecular Formula
C16H14F17NO4S
SMILES
CCCN(CCOC(=O)C=C)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H14F17NO4S/c1-3-5-34(6-7-38-8(35)4-2)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h4H,2-3,5-7H2,1H3
InChIKey
CZDIKJOTAVHOTJ-UHFFFAOYSA-N
Compound name
2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

639.03723 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.04451 155.6
[M+Na]+ 662.02645 155.7
[M+NH4]+ 657.07105 155.9
[M+K]+ 678.00039 155.9
[M-H]- 638.02995 155.6
[M+Na-2H]- 660.01190 155.4
[M]+ 639.03668 155.7
[M]- 639.03778 155.7
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