CID 162345322

Ethyl (2e)-2-[(s)-perfluorobutylsulfinylimino]acetate

Structural Information

Molecular Formula
C8H6F9NO3S
SMILES
CCOC(=O)C=NS(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H6F9NO3S/c1-2-21-4(19)3-18-22(20)8(16,17)6(11,12)5(9,10)7(13,14)15/h3H,2H2,1H3
InChIKey
MNOQSFWFAAAFIK-UHFFFAOYSA-N
Compound name
ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfinylimino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.99246 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.99974 164.0
[M+Na]+ 389.98168 171.4
[M-H]- 365.98518 154.3
[M+NH4]+ 385.02628 176.2
[M+K]+ 405.95562 169.2
[M+H-H2O]+ 349.98972 151.6
[M+HCOO]- 411.99066 167.9
[M+CH3COO]- 426.00631 214.2
[M+Na-2H]- 387.96713 164.8
[M]+ 366.99191 155.5
[M]- 366.99301 155.5
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.