CID 429731

Bis(nonafluorobutylsulfonyl)methane

Structural Information

Molecular Formula
C9H2F18O4S2
SMILES
C(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H2F18O4S2/c10-2(11,6(18,19)20)4(14,15)8(24,25)32(28,29)1-33(30,31)9(26,27)5(16,17)3(12,13)7(21,22)23/h1H2
InChIKey
XONFSEOHZGSMJG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylmethylsulfonyl)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

579.9107 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.91798 179.7
[M+Na]+ 602.89992 181.9
[M-H]- 578.90342 187.0
[M+NH4]+ 597.94452 191.2
[M+K]+ 618.87386 192.2
[M+H-H2O]+ 562.90796 167.5
[M+HCOO]- 624.90890 200.7
[M+CH3COO]- 638.92455 240.2
[M+Na-2H]- 600.88537 178.4
[M]+ 579.91015 183.9
[M]- 579.91125 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe