CID 14594407

Perfluoro-2-methyl-3-ethylpentane

Structural Information

Molecular Formula
C8F18
SMILES
C(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F
InChI
InChI=1S/C8F18/c9-1(3(11,12)7(21,22)23,4(13,14)8(24,25)26)2(10,5(15,16)17)6(18,19)20
InChIKey
BJHXOADCFUOTIA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

437.97125 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.97853 184.5
[M+Na]+ 460.96047 194.7
[M-H]- 436.96397 160.4
[M+NH4]+ 456.00507 163.1
[M+K]+ 476.93441 191.2
[M+H-H2O]+ 420.96851 168.8
[M+HCOO]- 482.96945 176.5
[M+CH3COO]- 496.98510 227.3
[M+Na-2H]- 458.94592 186.6
[M]+ 437.97070 153.7
[M]- 437.97180 153.7
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