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

3
Patents

217.94978 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95706 133.4
[M+Na]+ 240.93900 148.1
[M-H]- 216.94250 140.5
[M+NH4]+ 235.98360 157.3
[M+K]+ 256.91294 135.5
[M+H-H2O]+ 200.94704 135.4
[M+HCOO]- 262.94798 151.4
[M+CH3COO]- 276.96363 186.0
[M+Na-2H]- 238.92445 140.9
[M]+ 217.94923 154.4
[M]- 217.95033 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