CID 50989197

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

Structural Information

Molecular Formula
C9H10BrClO
SMILES
CC(C1=CC(=C(C=C1)OC)Cl)Br
InChI
InChI=1S/C9H10BrClO/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-6H,1-2H3
InChIKey
SMRVRTFXJQNAJK-UHFFFAOYSA-N
Compound name
4-(1-bromoethyl)-2-chloro-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96036 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.96764 142.0
[M+Na]+ 270.94958 155.2
[M-H]- 246.95308 148.7
[M+NH4]+ 265.99418 164.4
[M+K]+ 286.92352 143.1
[M+H-H2O]+ 230.95762 143.4
[M+HCOO]- 292.95856 159.0
[M+CH3COO]- 306.97421 190.3
[M+Na-2H]- 268.93503 148.4
[M]+ 247.95981 163.8
[M]- 247.96091 163.8
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.