CID 2735557

2-bromo-1,3-dichloro-4-methylbenzene

Structural Information

Molecular Formula
C7H5BrCl2
SMILES
CC1=C(C(=C(C=C1)Cl)Br)Cl
InChI
InChI=1S/C7H5BrCl2/c1-4-2-3-5(9)6(8)7(4)10/h2-3H,1H3
InChIKey
DBWPADILUQENLH-UHFFFAOYSA-N
Compound name
2-bromo-1,3-dichloro-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

237.89517 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.90245 133.7
[M+Na]+ 260.88439 149.4
[M-H]- 236.88789 140.2
[M+NH4]+ 255.92899 157.1
[M+K]+ 276.85833 135.5
[M+H-H2O]+ 220.89243 136.5
[M+HCOO]- 282.89337 147.1
[M+CH3COO]- 296.90902 187.7
[M+Na-2H]- 258.86984 141.1
[M]+ 237.89462 155.0
[M]- 237.89572 155.0
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