CID 62113512

1-(2-bromo-1-methoxyethyl)-4-chlorobenzene

Structural Information

Molecular Formula
C9H10BrClO
SMILES
COC(CBr)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H10BrClO/c1-12-9(6-10)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3
InChIKey
DZAIEYPTUYWTGB-UHFFFAOYSA-N
Compound name
1-(2-bromo-1-methoxyethyl)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96036 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.96764 142.9
[M+Na]+ 270.94958 155.2
[M-H]- 246.95308 149.3
[M+NH4]+ 265.99418 165.0
[M+K]+ 286.92352 143.1
[M+H-H2O]+ 230.95762 144.1
[M+HCOO]- 292.95856 159.9
[M+CH3COO]- 306.97421 189.3
[M+Na-2H]- 268.93503 149.9
[M]+ 247.95981 164.4
[M]- 247.96091 164.4
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

No patent data available for this compound.