CID 12182317

4-bromo-2,3,6-trifluorophenol

Structural Information

Molecular Formula
C6H2BrF3O
SMILES
C1=C(C(=C(C(=C1Br)F)F)O)F
InChI
InChI=1S/C6H2BrF3O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
InChIKey
ZFHGAOPLTHSAQQ-UHFFFAOYSA-N
Compound name
4-bromo-2,3,6-trifluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

225.9241 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.93138 134.2
[M+Na]+ 248.91332 149.0
[M-H]- 224.91682 136.8
[M+NH4]+ 243.95792 156.1
[M+K]+ 264.88726 137.1
[M+H-H2O]+ 208.92136 132.9
[M+HCOO]- 270.92230 152.8
[M+CH3COO]- 284.93795 185.0
[M+Na-2H]- 246.89877 139.7
[M]+ 225.92355 149.1
[M]- 225.92465 149.1
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