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

No literature data available for this compound.

Patent stripe

patents stripe