CID 13383169

2-(nonafluorobutyl)thiophene

Structural Information

Molecular Formula
C8H3F9S
SMILES
C1=CSC(=C1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F9S/c9-5(10,4-2-1-3-18-4)6(11,12)7(13,14)8(15,16)17/h1-3H
InChIKey
KKXHYYMDJMMUQM-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

301.98117 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.98845 151.1
[M+Na]+ 324.97039 160.8
[M-H]- 300.97389 144.0
[M+NH4]+ 320.01499 167.7
[M+K]+ 340.94433 156.9
[M+H-H2O]+ 284.97843 139.4
[M+HCOO]- 346.97937 155.8
[M+CH3COO]- 360.99502 199.7
[M+Na-2H]- 322.95584 152.6
[M]+ 301.98062 140.0
[M]- 301.98172 140.0
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

No patent data available for this compound.