CID 125473095

Ethyl 5,5,6,6,7,7,8,8,8-nonafluorooctane-1-sulfonate

Structural Information

Molecular Formula
C10H13F9O3S
SMILES
CCOS(=O)(=O)CCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H13F9O3S/c1-2-22-23(20,21)6-4-3-5-7(11,12)8(13,14)9(15,16)10(17,18)19/h2-6H2,1H3
InChIKey
SRBGSZZLJNLEIV-UHFFFAOYSA-N
Compound name
ethyl 5,5,6,6,7,7,8,8,8-nonafluorooctane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.04416 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05144 172.9
[M+Na]+ 407.03338 180.3
[M-H]- 383.03688 161.8
[M+NH4]+ 402.07798 184.3
[M+K]+ 423.00732 177.0
[M+H-H2O]+ 367.04142 160.9
[M+HCOO]- 429.04236 174.1
[M+CH3COO]- 443.05801 214.2
[M+Na-2H]- 405.01883 174.9
[M]+ 384.04361 165.3
[M]- 384.04471 165.3
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.