CID 53638669

2-bromo-4-chloro-1-(chloromethyl)benzene

Structural Information

Molecular Formula
C7H5BrCl2
SMILES
C1=CC(=C(C=C1Cl)Br)CCl
InChI
InChI=1S/C7H5BrCl2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4H2
InChIKey
SNPYGOQMBFNDLS-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-1-(chloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

237.89517 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.902446 134.5
[M+Na]+ 260.884388 149.3
[M-H]- 236.887894 140.7
[M+NH4]+ 255.928993 157.6
[M+K]+ 276.858328 135.4
[M+H-H2O]+ 220.892430 137.0
[M+HCOO]- 282.893371 147.9
[M+CH3COO]- 296.909021 186.6
[M+Na-2H]- 258.869836 142.5
[M]+ 237.89462142 155.4
[M]- 237.89571858 155.4
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

patents stripe