CID 87519791

1,2,3,4,5-pentafluoro-6-(nonafluorobutyl)benzene

Structural Information

Molecular Formula
C10F14
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10F14/c11-2-1(3(12)5(14)6(15)4(2)13)7(16,17)8(18,19)9(20,21)10(22,23)24
InChIKey
MOMGZHIBLGUISR-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

385.97763 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.984906 171.8
[M+Na]+ 408.966848 185.3
[M-H]- 384.970354 160.6
[M+NH4]+ 404.011453 183.4
[M+K]+ 424.940788 179.4
[M+H-H2O]+ 368.974890 156.5
[M+HCOO]- 430.975831 174.4
[M+CH3COO]- 444.991481 221.9
[M+Na-2H]- 406.952296 170.4
[M]+ 385.97708142 152.5
[M]- 385.97817858 152.5
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