CID 550348

1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane

Structural Information

Molecular Formula
C6HF13
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F
InChI
InChI=1S/C6HF13/c7-1(3(10,11)5(14,15)16)2(8,9)4(12,13)6(17,18)19/h1H
InChIKey
BSJCNKQSUUXNNN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

91
Patents

319.98706 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.994336 154.5
[M+Na]+ 342.976278 164.2
[M-H]- 318.979784 140.5
[M+NH4]+ 338.020883 167.7
[M+K]+ 358.950218 161.5
[M+H-H2O]+ 302.984320 141.3
[M+HCOO]- 364.985261 155.9
[M+CH3COO]- 379.000911 207.8
[M+Na-2H]- 340.961726 156.6
[M]+ 319.98651142 133.9
[M]- 319.98760858 133.9
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