CID 246684

1-bromo-2-chloro-4,5-dimethylbenzene

Structural Information

Molecular Formula
C8H8BrCl
SMILES
CC1=CC(=C(C=C1C)Br)Cl
InChI
InChI=1S/C8H8BrCl/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,1-2H3
InChIKey
HHRBCSGJXSSZOH-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-4,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.94978 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.957056 133.4
[M+Na]+ 240.938998 148.1
[M-H]- 216.942504 140.5
[M+NH4]+ 235.983603 157.3
[M+K]+ 256.912938 135.5
[M+H-H2O]+ 200.947040 135.4
[M+HCOO]- 262.947981 151.4
[M+CH3COO]- 276.963631 186.0
[M+Na-2H]- 238.924446 140.9
[M]+ 217.94923142 154.4
[M]- 217.95032858 154.4
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