CID 13451022

Hexane, 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluoro-4-(trifluoromethyl)-

Structural Information

Molecular Formula
C7F16
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7F16/c8-1(5(15,16)17,3(11,12)6(18,19)20)2(9,10)4(13,14)7(21,22)23
InChIKey
CPMLSIADGFUFBX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluoro-4-(trifluoromethyl)hexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

387.97446 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.98174 171.8
[M+Na]+ 410.96368 182.0
[M-H]- 386.96718 156.0
[M+NH4]+ 406.00828 154.3
[M+K]+ 426.93762 178.7
[M+H-H2O]+ 370.97172 157.1
[M+HCOO]- 432.97266 169.3
[M+CH3COO]- 446.98831 219.3
[M+Na-2H]- 408.94913 174.6
[M]+ 387.97391 146.3
[M]- 387.97501 146.3
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