CID 15267638

Perfluoro-2-methyl-3-(propan-2-yl)pentan-3-yl

Structural Information

Molecular Formula
C9HF19
SMILES
C(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9HF19/c10-2(5(14,15)16,6(17,18)19)1(4(12,13)9(26,27)28)3(11,7(20,21)22)8(23,24)25/h1H
InChIKey
PSWABSSVWUDAEI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

469.97748 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.984756 162.5
[M+Na]+ 492.966698 169.3
[M-H]- 468.970204 169.0
[M+NH4]+ 488.011303 171.9
[M+K]+ 508.940638 177.2
[M+H-H2O]+ 452.974740 174.7
[M+HCOO]- 514.975681 181.5
[M+CH3COO]- 528.991331 232.2
[M+Na-2H]- 490.952146 191.1
[M]+ 469.97693142 160.3
[M]- 469.97802858 160.3
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