CID 21339936

2070-78-2

Structural Information

Molecular Formula
C8H2F16
SMILES
C(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/C8H2F16/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H2
InChIKey
MZEWTRVTJJVHCA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

401.9901 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.99738 176.2
[M+Na]+ 424.97932 185.9
[M-H]- 400.98282 160.1
[M+NH4]+ 420.02392 157.3
[M+K]+ 440.95326 182.3
[M+H-H2O]+ 384.98736 161.1
[M+HCOO]- 446.98830 171.8
[M+CH3COO]- 461.00395 223.0
[M+Na-2H]- 422.96477 178.4
[M]+ 401.98955 151.1
[M]- 401.99065 151.1
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

patents stripe