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

10
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

literature stripe

Patent stripe

patents stripe