CID 20490899

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

237.89517 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.90245 134.5
[M+Na]+ 260.88439 149.3
[M-H]- 236.88789 140.7
[M+NH4]+ 255.92899 157.6
[M+K]+ 276.85833 135.4
[M+H-H2O]+ 220.89243 137.0
[M+HCOO]- 282.89337 147.9
[M+CH3COO]- 296.90902 186.6
[M+Na-2H]- 258.86984 142.5
[M]+ 237.89462 155.4
[M]- 237.89572 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