CID 50998187

4-bromo-1-chloro-2-ethoxybenzene

Structural Information

Molecular Formula
C8H8BrClO
SMILES
CCOC1=C(C=CC(=C1)Br)Cl
InChI
InChI=1S/C8H8BrClO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3
InChIKey
NLYBGPXRAMZWPD-UHFFFAOYSA-N
Compound name
4-bromo-1-chloro-2-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

233.94472 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.951996 137.1
[M+Na]+ 256.933938 150.9
[M-H]- 232.937444 143.9
[M+NH4]+ 251.978543 160.1
[M+K]+ 272.907878 138.7
[M+H-H2O]+ 216.941980 138.7
[M+HCOO]- 278.942921 155.3
[M+CH3COO]- 292.958571 186.8
[M+Na-2H]- 254.919386 145.2
[M]+ 233.94417142 159.1
[M]- 233.94526858 159.1
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