CID 138396396

4-bromo-2-[4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)nonyl]phenol

Structural Information

Molecular Formula
C16H10BrF15O
SMILES
C1=CC(=C(C=C1Br)CCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C16H10BrF15O/c17-8-3-4-9(33)7(6-8)2-1-5-10(18,19)12(21,22)14(25,26)13(23,24)11(20,15(27,28)29)16(30,31)32/h3-4,6,33H,1-2,5H2
InChIKey
PIDMBACJRPFEPM-UHFFFAOYSA-N
Compound name
4-bromo-2-[4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)nonyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.9675 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.97478 173.4
[M+Na]+ 604.95672 173.0
[M+NH4]+ 600.00132 172.8
[M+K]+ 620.93066 172.8
[M-H]- 580.96022 171.1
[M+Na-2H]- 602.94217 172.7
[M]+ 581.96695 172.6
[M]- 581.96805 172.6
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.