CID 21731450

1,1,1,3,3,5,5,5-octafluoro-2,2,4,4-tetrakis(trifluoromethyl)pentane

Structural Information

Molecular Formula
C9F20
SMILES
C(C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9F20/c10-3(11,1(4(12,13)14,5(15,16)17)6(18,19)20)2(7(21,22)23,8(24,25)26)9(27,28)29
InChIKey
OBGZODCYKSYLOI-UHFFFAOYSA-N
Compound name
1,1,1,3,3,5,5,5-octafluoro-2,2,4,4-tetrakis(trifluoromethyl)pentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

134
Patents

487.96805 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.975326 163.0
[M+Na]+ 510.957268 169.1
[M-H]- 486.960774 170.1
[M+NH4]+ 506.001873 172.1
[M+K]+ 526.931208 177.8
[M+H-H2O]+ 470.965310 152.3
[M+HCOO]- 532.966251 184.2
[M+CH3COO]- 546.981901 234.2
[M+Na-2H]- 508.942716 164.4
[M]+ 487.96750142 161.5
[M]- 487.96859858 161.5
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