CID 7130774

2-bromo-4-(chloromethyl)-1-methoxybenzene

Structural Information

Molecular Formula
C8H8BrClO
SMILES
COC1=C(C=C(C=C1)CCl)Br
InChI
InChI=1S/C8H8BrClO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5H2,1H3
InChIKey
LGROUIFCRUBNIJ-UHFFFAOYSA-N
Compound name
2-bromo-4-(chloromethyl)-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

233.94472 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95200 138.4
[M+Na]+ 256.93394 143.9
[M+NH4]+ 251.97854 144.5
[M+K]+ 272.90788 142.4
[M-H]- 232.93744 139.8
[M+Na-2H]- 254.91939 143.2
[M]+ 233.94417 138.8
[M]- 233.94527 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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