CID 92626

2,6-dibromo-4-ethylphenol

Structural Information

Molecular Formula
C8H8Br2O
SMILES
CCC1=CC(=C(C(=C1)Br)O)Br
InChI
InChI=1S/C8H8Br2O/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4,11H,2H2,1H3
InChIKey
XSNHMPFGJLEOTP-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-ethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

277.8942 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.901476 136.5
[M+Na]+ 300.883418 148.2
[M-H]- 276.886924 142.7
[M+NH4]+ 295.928023 156.2
[M+K]+ 316.857358 132.5
[M+H-H2O]+ 260.891460 144.9
[M+HCOO]- 322.892401 152.2
[M+CH3COO]- 336.908051 199.8
[M+Na-2H]- 298.868866 143.3
[M]+ 277.89365142 170.4
[M]- 277.89474858 170.4
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