CID 11454890

195324-87-9

Structural Information

Molecular Formula
C14H8BrF13
SMILES
C1=CC(=CC=C1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Br
InChI
InChI=1S/C14H8BrF13/c15-8-3-1-7(2-4-8)5-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)28/h1-4H,5-6H2
InChIKey
INTYDOLPAWEEIL-UHFFFAOYSA-N
Compound name
1-bromo-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

501.96017 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.96745 214.6
[M+Na]+ 524.94939 226.5
[M-H]- 500.95289 206.4
[M+NH4]+ 519.99399 224.7
[M+K]+ 540.92333 212.5
[M+H-H2O]+ 484.95743 205.0
[M+HCOO]- 546.95837 212.9
[M+CH3COO]- 560.97402 233.1
[M+Na-2H]- 522.93484 215.4
[M]+ 501.95962 212.9
[M]- 501.96072 212.9
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