CID 91595100

Lithium(1+) 3-(1,1,2,2,2-pentafluoroethyl)benzene-1-sulfinate

Structural Information

Molecular Formula
C8H5F5O2S
SMILES
C1=CC(=CC(=C1)S(=O)O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C8H5F5O2S/c9-7(10,8(11,12)13)5-2-1-3-6(4-5)16(14)15/h1-4H,(H,14,15)
InChIKey
RGOSBJRGADJCQN-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,2-pentafluoroethyl)benzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.99304 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.00032 144.4
[M+Na]+ 282.98226 153.4
[M-H]- 258.98576 140.6
[M+NH4]+ 278.02686 160.7
[M+K]+ 298.95620 149.5
[M+H-H2O]+ 242.99030 135.1
[M+HCOO]- 304.99124 153.6
[M+CH3COO]- 319.00689 188.8
[M+Na-2H]- 280.96771 146.3
[M]+ 259.99249 139.0
[M]- 259.99359 139.0
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

No patent data available for this compound.