CID 116605

64346-90-3

Structural Information

Molecular Formula
C9H7F13N2O4S
SMILES
C(CNS(=O)(=O)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)N
InChI
InChI=1S/C9H7F13N2O4S/c10-3(11)4(12)27-7(17,18)5(13,6(14,15)16)28-8(19,20)9(21,22)29(25,26)24-2-1-23/h24H,1-2,23H2
InChIKey
OFGMYVUFKMFVRX-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

485.99188 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.99916 164.7
[M+Na]+ 508.98110 172.1
[M-H]- 484.98460 173.2
[M+NH4]+ 504.02570 172.9
[M+K]+ 524.95504 174.8
[M+H-H2O]+ 468.98914 155.9
[M+HCOO]- 530.99008 178.3
[M+CH3COO]- 545.00573 233.3
[M+Na-2H]- 506.96655 162.4
[M]+ 485.99133 159.8
[M]- 485.99243 159.8
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.