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]+ 248.967636 141.9
[M+Na]+ 270.949578 155.3
[M-H]- 246.953084 148.4
[M+NH4]+ 265.994183 164.3
[M+K]+ 286.923518 142.8
[M+H-H2O]+ 230.957620 143.2
[M+HCOO]- 292.958561 159.7
[M+CH3COO]- 306.974211 189.6
[M+Na-2H]- 268.935026 149.4
[M]+ 247.95981142 164.2
[M]- 247.96090858 164.2
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.