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

126
Patents

487.96805 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.97533 163.0
[M+Na]+ 510.95727 169.1
[M-H]- 486.96077 170.1
[M+NH4]+ 506.00187 172.1
[M+K]+ 526.93121 177.8
[M+H-H2O]+ 470.96531 152.3
[M+HCOO]- 532.96625 184.2
[M+CH3COO]- 546.98190 234.2
[M+Na-2H]- 508.94272 164.4
[M]+ 487.96750 161.5
[M]- 487.96860 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