CID 67634

Pentadecafluorooctanoyl fluoride

Structural Information

Molecular Formula
C8F16O
SMILES
C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8F16O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
InChIKey
ZILWJLIFAGWGLE-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

653
Patents

415.96936 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.97664 175.3
[M+Na]+ 438.95858 185.0
[M-H]- 414.96208 157.4
[M+NH4]+ 434.00318 160.6
[M+K]+ 454.93252 181.9
[M+H-H2O]+ 398.96662 160.5
[M+HCOO]- 460.96756 171.4
[M+CH3COO]- 474.98321 224.3
[M+Na-2H]- 436.94403 177.3
[M]+ 415.96881 150.2
[M]- 415.96991 150.2
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.