CID 105454

67584-61-6

Structural Information

Molecular Formula
C13H12F13NO4S
SMILES
CC(=C)C(=O)OCCN(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/C13H12F13NO4S/c1-6(2)7(28)31-5-4-27(3)32(29,30)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h1,4-5H2,2-3H3
InChIKey
MVZJFKDUUZOQFM-UHFFFAOYSA-N
Compound name
2-[methyl(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
2
Annotation Hits

0
References

22
Patents

525.02795 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.03523 186.2
[M+Na]+ 548.01717 185.5
[M+NH4]+ 543.06177 184.8
[M+K]+ 563.99111 164.4
[M-H]- 524.02067 181.4
[M+Na-2H]- 546.00262 183.8
[M]+ 525.02740 184.6
[M]- 525.02850 184.6
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