CID 12696947

Perfluoro-2,3-dimethylpentane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 164.6
[M+Na]+ 410.96368 164.7
[M+NH4]+ 406.00828 164.3
[M+K]+ 426.93762 164.6
[M-H]- 386.96718 162.6
[M+Na-2H]- 408.94913 164.5
[M]+ 387.97391 164.0
[M]- 387.97501 164.0
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