CID 520741

1,1,1,2,3,4,4,4-octafluoro-2,3-bis(trifluoromethyl)butane

Structural Information

Molecular Formula
C6F14
SMILES
C(C(C(F)(F)F)(C(F)(F)F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6F14/c7-1(3(9,10)11,4(12,13)14)2(8,5(15,16)17)6(18,19)20
InChIKey
NBQYGIPVNCVJJP-UHFFFAOYSA-N
Compound name
1,1,1,2,3,4,4,4-octafluoro-2,3-bis(trifluoromethyl)butane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

191
Patents

337.97763 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.98491 159.7
[M+Na]+ 360.96685 170.0
[M-H]- 336.97035 145.2
[M+NH4]+ 356.01145 172.2
[M+K]+ 376.94079 167.0
[M+H-H2O]+ 320.97489 146.1
[M+HCOO]- 382.97583 159.5
[M+CH3COO]- 396.99148 209.6
[M+Na-2H]- 358.95230 163.1
[M]+ 337.97708 137.3
[M]- 337.97818 137.3
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