CID 138396361

[s-(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-)sulfonimidoyl]benzene

Structural Information

Molecular Formula
C10H6F9NOS
SMILES
C1=CC=C(C=C1)S(=N)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F9NOS/c11-7(12,9(15,16)17)8(13,14)10(18,19)22(20,21)6-4-2-1-3-5-6/h1-5,20H
InChIKey
WXTMTRJFJBQPJW-UHFFFAOYSA-N
Compound name
imino-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-oxo-phenyl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

359.00262 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.00990 164.4
[M+Na]+ 381.99184 172.9
[M-H]- 357.99534 156.8
[M+NH4]+ 377.03644 176.3
[M+K]+ 397.96578 167.8
[M+H-H2O]+ 341.99988 151.6
[M+HCOO]- 404.00082 167.6
[M+CH3COO]- 418.01647 210.6
[M+Na-2H]- 379.97729 168.8
[M]+ 359.00207 151.5
[M]- 359.00317 151.5
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.