CID 53420207

Dtxsid90697584

Structural Information

Molecular Formula
C16H8BrF17
SMILES
C1=CC(=CC=C1C(C(C(C(C(C(C(CCC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Br
InChI
InChI=1S/C16H8BrF17/c17-8-3-1-7(2-4-8)11(23,24)13(27,28)15(31,32)16(33,34)14(29,30)12(25,26)9(18,19)5-6-10(20,21)22/h1-4H,5-6H2
InChIKey
WFVQHMKBXVRLTH-UHFFFAOYSA-N
Compound name
1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

601.9538 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.96108 240.1
[M+Na]+ 624.94302 251.5
[M-H]- 600.94652 229.1
[M+NH4]+ 619.98762 205.1
[M+K]+ 640.91696 237.7
[M+H-H2O]+ 584.95106 228.0
[M+HCOO]- 646.95200 218.8
[M+CH3COO]- 660.96765 248.0
[M+Na-2H]- 622.92847 239.3
[M]+ 601.95325 231.0
[M]- 601.95435 231.0
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.