CID 101639

Perfluoro-2-methyldecalin

Structural Information

Molecular Formula
C11F20
SMILES
C12(C(C(C(C(C1(F)F)(C(F)(F)F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C11F20/c12-1-2(13,7(21,22)10(27,28)9(25,26)6(1,19)20)5(17,18)8(23,24)3(14,4(1,15)16)11(29,30)31
InChIKey
DVPQLHWKBCBNDB-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8,8a-heptadecafluoro-7-(trifluoromethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

91
Patents

511.96805 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.97533 167.0
[M+Na]+ 534.95727 187.4
[M-H]- 510.96077 156.5
[M+NH4]+ 530.00187 190.3
[M+K]+ 550.93121 182.5
[M+H-H2O]+ 494.96531 156.2
[M+HCOO]- 556.96625 164.4
[M+CH3COO]- 570.98190 239.3
[M+Na-2H]- 532.94272 170.5
[M]+ 511.96750 146.5
[M]- 511.96860 146.5
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