CID 105449

Einecs 266-735-6

Structural Information

Molecular Formula
C12H10F13NO4S
SMILES
CN(CCOC(=O)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/C12H10F13NO4S/c1-3-6(27)30-5-4-26(2)31(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h3H,1,4-5H2,2H3
InChIKey
HLKZFXXWGVPYAY-UHFFFAOYSA-N
Compound name
2-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

45
Patents

511.0123 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.01958 179.5
[M+Na]+ 534.00152 187.0
[M-H]- 510.00502 188.8
[M+NH4]+ 529.04612 193.0
[M+K]+ 549.97546 192.6
[M+H-H2O]+ 494.00956 171.3
[M+HCOO]- 556.01050 197.1
[M+CH3COO]- 570.02615 238.8
[M+Na-2H]- 531.98697 177.4
[M]+ 511.01175 180.4
[M]- 511.01285 180.4
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