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

571
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

literature stripe

Patent stripe

patents stripe