CID 124251383

1-bromo-2-(bromomethyl)-4-chloro-5-methylbenzene

Structural Information

Molecular Formula
C8H7Br2Cl
SMILES
CC1=CC(=C(C=C1Cl)CBr)Br
InChI
InChI=1S/C8H7Br2Cl/c1-5-2-7(10)6(4-9)3-8(5)11/h2-3H,4H2,1H3
InChIKey
MZUDCZWSYKYHKI-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-4-chloro-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.8603 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.86758 147.2
[M+Na]+ 318.84952 144.0
[M+NH4]+ 313.89412 150.1
[M+K]+ 334.82346 149.0
[M-H]- 294.85302 148.6
[M+Na-2H]- 316.83497 149.4
[M]+ 295.85975 146.3
[M]- 295.86085 146.3
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.