CID 90321

2-(2,4,6-tribromophenoxy)ethanol

Structural Information

Molecular Formula
C8H7Br3O2
SMILES
C1=C(C=C(C(=C1Br)OCCO)Br)Br
InChI
InChI=1S/C8H7Br3O2/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4,12H,1-2H2
InChIKey
GXNDUUQGAZRKDB-UHFFFAOYSA-N
Compound name
2-(2,4,6-tribromophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

371.79962 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.80690 140.8
[M+Na]+ 394.78884 148.9
[M-H]- 370.79234 145.7
[M+NH4]+ 389.83344 155.2
[M+K]+ 410.76278 133.6
[M+H-H2O]+ 354.79688 155.5
[M+HCOO]- 416.79782 150.8
[M+CH3COO]- 430.81347 220.1
[M+Na-2H]- 392.77429 146.0
[M]+ 371.79907 182.2
[M]- 371.80017 182.2
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.