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

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 185.3
[M-H]- 384.97035 160.6
[M+NH4]+ 404.01145 183.4
[M+K]+ 424.94079 179.4
[M+H-H2O]+ 368.97489 156.5
[M+HCOO]- 430.97583 174.4
[M+CH3COO]- 444.99148 221.9
[M+Na-2H]- 406.95230 170.4
[M]+ 385.97708 152.5
[M]- 385.97818 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