CID 106196

67939-96-2

Structural Information

Molecular Formula
C14H12F15NO4S
SMILES
CC(=C)C(=O)OCCN(C)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H12F15NO4S/c1-6(2)7(31)34-5-4-30(3)35(32,33)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27/h1,4-5H2,2-3H3
InChIKey
RZDRSPQHQWHCKI-UHFFFAOYSA-N
Compound name
2-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

575.0248 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.03208 192.6
[M+Na]+ 598.01402 199.6
[M-H]- 574.01752 204.4
[M+NH4]+ 593.05862 208.3
[M+K]+ 613.98796 208.1
[M+H-H2O]+ 558.02206 183.4
[M+HCOO]- 620.02300 207.3
[M+CH3COO]- 634.03865 249.4
[M+Na-2H]- 595.99947 190.5
[M]+ 575.02425 193.4
[M]- 575.02535 193.4
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.