CID 10613066

2-bromo-1-(bromomethyl)-4-chlorobenzene

Structural Information

Molecular Formula
C7H5Br2Cl
SMILES
C1=CC(=C(C=C1Cl)Br)CBr
InChI
InChI=1S/C7H5Br2Cl/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2
InChIKey
KZIGUGMFQVNQFJ-UHFFFAOYSA-N
Compound name
2-bromo-1-(bromomethyl)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

281.84464 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.851916 134.6
[M+Na]+ 304.833858 147.8
[M-H]- 280.837364 141.9
[M+NH4]+ 299.878463 155.6
[M+K]+ 320.807798 130.9
[M+H-H2O]+ 264.841900 144.1
[M+HCOO]- 326.842841 148.2
[M+CH3COO]- 340.858491 200.1
[M+Na-2H]- 302.819306 142.8
[M]+ 281.84409142 169.9
[M]- 281.84518858 169.9
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

patents stripe