CID 106119

67906-70-1

Structural Information

Molecular Formula
C14H14F13NO4S
SMILES
CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H14F13NO4S/c1-4-28(5-6-32-8(29)7(2)3)33(30,31)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25/h2,4-6H2,1,3H3
InChIKey
HCLVYCJMWIGREO-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

539.0436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.05088 189.2
[M+Na]+ 562.03282 196.7
[M-H]- 538.03632 199.3
[M+NH4]+ 557.07742 204.0
[M+K]+ 578.00676 203.5
[M+H-H2O]+ 522.04086 181.2
[M+HCOO]- 584.04180 203.8
[M+CH3COO]- 598.05745 244.5
[M+Na-2H]- 560.01827 186.5
[M]+ 539.04305 190.0
[M]- 539.04415 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe