CID 105452

67584-59-2

Structural Information

Molecular Formula
C11H12F9NO4S
SMILES
CC(=C)C(=O)OCCN(C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H12F9NO4S/c1-6(2)7(22)25-5-4-21(3)26(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h1,4-5H2,2-3H3
InChIKey
BEIWUHUHJDEMQO-UHFFFAOYSA-N
Compound name
2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

108
Patents

425.03433 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.04161 175.9
[M+Na]+ 448.02355 182.1
[M-H]- 424.02705 180.0
[M+NH4]+ 443.06815 185.6
[M+K]+ 463.99749 180.5
[M+H-H2O]+ 408.03159 163.8
[M+HCOO]- 470.03253 188.4
[M+CH3COO]- 484.04818 225.5
[M+Na-2H]- 446.00900 176.7
[M]+ 425.03378 174.2
[M]- 425.03488 174.2
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