CID 3016513

Perfluoro dimethylethylpentane

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

61
Patents

487.96805 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.975326 162.7
[M+Na]+ 510.957268 168.7
[M-H]- 486.960774 169.6
[M+NH4]+ 506.001873 171.8
[M+K]+ 526.931208 177.5
[M+H-H2O]+ 470.965310 152.0
[M+HCOO]- 532.966251 183.8
[M+CH3COO]- 546.981901 234.7
[M+Na-2H]- 508.942716 164.1
[M]+ 487.96750142 161.2
[M]- 487.96859858 161.2
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