CID 74692

1893-52-3

Structural Information

Molecular Formula
C13H12F13NO4S
SMILES
CCN(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/C13H12F13NO4S/c1-3-7(28)31-6-5-27(4-2)32(29,30)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h3H,1,4-6H2,2H3
InChIKey
QJRQXQMZXHXNPA-UHFFFAOYSA-N
Compound name
2-[ethyl(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

4
Patents

525.02795 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.03523 183.3
[M+Na]+ 548.01717 190.6
[M-H]- 524.02067 192.3
[M+NH4]+ 543.06177 196.8
[M+K]+ 563.99111 196.6
[M+H-H2O]+ 508.02521 175.0
[M+HCOO]- 570.02615 200.5
[M+CH3COO]- 584.04180 241.4
[M+Na-2H]- 546.00262 180.7
[M]+ 525.02740 184.1
[M]- 525.02850 184.1
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