CID 85879429

4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-1-butanesulfonic acid

Structural Information

Molecular Formula
C8H9F9O4S
SMILES
C(CCS(=O)(=O)O)COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H9F9O4S/c9-5(10,7(13,14)15)6(11,12)8(16,17)21-3-1-2-4-22(18,19)20/h1-4H2,(H,18,19,20)
InChIKey
NDVQVPHDRMVGQR-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

372.00778 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.01506 166.6
[M+Na]+ 394.99700 174.1
[M-H]- 371.00050 154.4
[M+NH4]+ 390.04160 177.6
[M+K]+ 410.97094 171.0
[M+H-H2O]+ 355.00504 155.1
[M+HCOO]- 417.00598 167.3
[M+CH3COO]- 431.02163 208.0
[M+Na-2H]- 392.98245 169.6
[M]+ 372.00723 157.9
[M]- 372.00833 157.9
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