CID 154578295

1-(2-bromoethyl)-4-chloro-2-methoxybenzene

Structural Information

Molecular Formula
C9H10BrClO
SMILES
COC1=C(C=CC(=C1)Cl)CCBr
InChI
InChI=1S/C9H10BrClO/c1-12-9-6-8(11)3-2-7(9)4-5-10/h2-3,6H,4-5H2,1H3
InChIKey
GOPCSQZXNLSSBX-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-chloro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96036 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.96764 143.0
[M+Na]+ 270.94958 148.4
[M+NH4]+ 265.99418 149.0
[M+K]+ 286.92352 146.5
[M-H]- 246.95308 144.4
[M+Na-2H]- 268.93503 147.5
[M]+ 247.95981 143.4
[M]- 247.96091 143.4
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.