CID 130882381

1-(bromomethyl)-2,4-dichloro-3-methylbenzene

Structural Information

Molecular Formula
C8H7BrCl2
SMILES
CC1=C(C=CC(=C1Cl)CBr)Cl
InChI
InChI=1S/C8H7BrCl2/c1-5-7(10)3-2-6(4-9)8(5)11/h2-3H,4H2,1H3
InChIKey
NEKCSVURSZPIDB-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,4-dichloro-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

251.91081 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.91809 141.6
[M+Na]+ 274.90003 148.4
[M+NH4]+ 269.94463 148.2
[M+K]+ 290.87397 145.7
[M-H]- 250.90353 143.2
[M+Na-2H]- 272.88548 146.5
[M]+ 251.91026 142.6
[M]- 251.91136 142.6
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.