CID 138395039

(s)-perfluorobutanesulfinamide

Structural Information

Molecular Formula
C4H2F9NOS
SMILES
C(C(C(F)(F)[S@@](=O)N)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4H2F9NOS/c5-1(6,3(9,10)11)2(7,8)4(12,13)16(14)15/h14H2/t16-/m1/s1
InChIKey
ZWMSJJMEFTXAKG-MRXNPFEDSA-N
Compound name
(R)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

282.97134 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.97862 142.9
[M+Na]+ 305.96056 151.2
[M-H]- 281.96406 131.8
[M+NH4]+ 301.00516 157.5
[M+K]+ 321.93450 148.4
[M+H-H2O]+ 265.96860 131.3
[M+HCOO]- 327.96954 146.0
[M+CH3COO]- 341.98519 198.3
[M+Na-2H]- 303.94601 144.2
[M]+ 282.97079 129.3
[M]- 282.97189 129.3
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.