CID 85998722

2-bromo-5-(bromomethyl)-1,3-dichlorobenzene

Structural Information

Molecular Formula
C7H4Br2Cl2
SMILES
C1=C(C=C(C(=C1Cl)Br)Cl)CBr
InChI
InChI=1S/C7H4Br2Cl2/c8-3-4-1-5(10)7(9)6(11)2-4/h1-2H,3H2
InChIKey
IFCDXNBZOIXGBS-UHFFFAOYSA-N
Compound name
2-bromo-5-(bromomethyl)-1,3-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.8057 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.81298 138.7
[M+Na]+ 338.79492 153.2
[M-H]- 314.79842 145.6
[M+NH4]+ 333.83952 159.0
[M+K]+ 354.76886 134.9
[M+H-H2O]+ 298.80296 148.5
[M+HCOO]- 360.80390 148.1
[M+CH3COO]- 374.81955 204.5
[M+Na-2H]- 336.78037 145.8
[M]+ 315.80515 174.4
[M]- 315.80625 174.4
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.