CID 12842396

Cyclopent-1-en-1-yl nonafluorobutane-1-sulfonate

Structural Information

Molecular Formula
C9H7F9O3S
SMILES
C1CC=C(C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F9O3S/c10-6(11,8(14,15)16)7(12,13)9(17,18)22(19,20)21-5-3-1-2-4-5/h3H,1-2,4H2
InChIKey
GKSGKKZFRKGNTD-UHFFFAOYSA-N
Compound name
cyclopenten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

365.99722 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.00450 165.9
[M+Na]+ 388.98644 174.4
[M-H]- 364.98994 158.4
[M+NH4]+ 384.03104 179.6
[M+K]+ 404.96038 171.4
[M+H-H2O]+ 348.99448 154.6
[M+HCOO]- 410.99542 168.5
[M+CH3COO]- 425.01107 207.3
[M+Na-2H]- 386.97189 168.7
[M]+ 365.99667 155.8
[M]- 365.99777 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe