CID 138881

1-(2-bromoethoxy)-2,4-dichlorobenzene

Structural Information

Molecular Formula
C8H7BrCl2O
SMILES
C1=CC(=C(C=C1Cl)Cl)OCCBr
InChI
InChI=1S/C8H7BrCl2O/c9-3-4-12-8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2
InChIKey
OEYZGSRLAGSENP-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-2,4-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

267.90573 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.91301 141.7
[M+Na]+ 290.89495 156.0
[M-H]- 266.89845 147.7
[M+NH4]+ 285.93955 163.7
[M+K]+ 306.86889 142.3
[M+H-H2O]+ 250.90299 143.8
[M+HCOO]- 312.90393 155.0
[M+CH3COO]- 326.91958 191.1
[M+Na-2H]- 288.88040 149.1
[M]+ 267.90518 164.3
[M]- 267.90628 164.3
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