CID 2782761

Methyl nonafluorobutanesulfonate

Structural Information

Molecular Formula
C5H3F9O3S
SMILES
COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H3F9O3S/c1-17-18(15,16)5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3
InChIKey
DJQMSULGPPSGHC-UHFFFAOYSA-N
Compound name
methyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

87
Patents

313.9659 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.97318 150.3
[M+Na]+ 336.95512 159.7
[M-H]- 312.95862 140.1
[M+NH4]+ 331.99972 164.3
[M+K]+ 352.92906 157.5
[M+H-H2O]+ 296.96316 139.2
[M+HCOO]- 358.96410 153.1
[M+CH3COO]- 372.97975 200.0
[M+Na-2H]- 334.94057 154.5
[M]+ 313.96535 140.9
[M]- 313.96645 140.9
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