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
1
Annotation Hits

0
References

24
Patents

385.97763 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.98491 171.8
[M+Na]+ 408.96685 172.3
[M+NH4]+ 404.01145 171.3
[M+K]+ 424.94079 171.3
[M-H]- 384.97035 168.6
[M+Na-2H]- 406.95230 171.1
[M]+ 385.97708 170.9
[M]- 385.97818 170.9
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