CID 10435058

1-bromo-3-(tridecafluorohexyl)benzene

Structural Information

Molecular Formula
C12H4BrF13
SMILES
C1=CC(=CC(=C1)Br)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H4BrF13/c13-6-3-1-2-5(4-6)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)26/h1-4H
InChIKey
IWLWYBHBNRALOG-UHFFFAOYSA-N
Compound name
1-bromo-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

473.9289 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.93618 205.6
[M+Na]+ 496.91812 218.2
[M-H]- 472.92162 197.7
[M+NH4]+ 491.96272 216.6
[M+K]+ 512.89206 204.6
[M+H-H2O]+ 456.92616 196.4
[M+HCOO]- 518.92710 204.5
[M+CH3COO]- 532.94275 228.1
[M+Na-2H]- 494.90357 207.3
[M]+ 473.92835 203.2
[M]- 473.92945 203.2
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

No patent data available for this compound.