CID 596595

1-butanesulfinic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-

Structural Information

Molecular Formula
C4HF9O2S
SMILES
C(C(C(F)(F)S(=O)O)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4HF9O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)16(14)15/h(H,14,15)
InChIKey
TWIYDBQRYCWOAU-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

233
Patents

283.95535 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.96263 142.2
[M+Na]+ 306.94457 150.9
[M-H]- 282.94807 130.4
[M+NH4]+ 301.98917 156.7
[M+K]+ 322.91851 148.2
[M+H-H2O]+ 266.95261 131.2
[M+HCOO]- 328.95355 143.8
[M+CH3COO]- 342.96920 193.7
[M+Na-2H]- 304.93002 143.9
[M]+ 283.95480 130.0
[M]- 283.95590 130.0
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