CID 106085

Einecs 267-706-0

Structural Information

Molecular Formula
C13H16F9NO4S
SMILES
CC(=C)C(=O)OCCCCN(C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H16F9NO4S/c1-8(2)9(24)27-7-5-4-6-23(3)28(25,26)13(21,22)11(16,17)10(14,15)12(18,19)20/h1,4-7H2,2-3H3
InChIKey
GJCCTHAVFKJHMN-UHFFFAOYSA-N
Compound name
4-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]butyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

453.06564 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.07292 180.7
[M+Na]+ 476.05486 189.5
[M-H]- 452.05836 187.1
[M+NH4]+ 471.09946 193.3
[M+K]+ 492.02880 192.0
[M+H-H2O]+ 436.06290 172.5
[M+HCOO]- 498.06384 195.4
[M+CH3COO]- 512.07949 231.1
[M+Na-2H]- 474.04031 177.4
[M]+ 453.06509 181.8
[M]- 453.06619 181.8
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

No patent data available for this compound.