CID 71374235

60194-47-0

Structural Information

Molecular Formula
C13H8F17NO4S
SMILES
C=CC(=O)OCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H8F17NO4S/c1-2-5(32)35-4-3-31-36(33,34)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h2,31H,1,3-4H2
InChIKey
XCBBWRDLYSFQAA-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

596.99023 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.99751 184.6
[M+Na]+ 619.97945 189.5
[M-H]- 595.98295 195.2
[M+NH4]+ 615.02405 196.7
[M+K]+ 635.95339 198.6
[M+H-H2O]+ 579.98749 172.6
[M+HCOO]- 641.98843 202.4
[M+CH3COO]- 656.00408 248.6
[M+Na-2H]- 617.96490 182.5
[M]+ 596.98968 184.4
[M]- 596.99078 184.4
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

patents stripe