CID 11525234

2,2,3,3,4,4,5,5-octafluoropentylsulfate

Structural Information

Molecular Formula
C5H4F8O4S
SMILES
C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)O
InChI
InChI=1S/C5H4F8O4S/c6-2(7)4(10,11)5(12,13)3(8,9)1-17-18(14,15)16/h2H,1H2,(H,14,15,16)
InChIKey
IIAOVMCGUVEGDU-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

311.97025 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.97753 149.3
[M+Na]+ 334.95947 157.4
[M-H]- 310.96297 138.4
[M+NH4]+ 330.00407 162.6
[M+K]+ 350.93341 155.2
[M+H-H2O]+ 294.96751 138.8
[M+HCOO]- 356.96845 152.3
[M+CH3COO]- 370.98410 197.2
[M+Na-2H]- 332.94492 151.9
[M]+ 311.96970 141.1
[M]- 311.97080 141.1
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