CID 2735555

5-bromo-2-chloro-m-xylene

Structural Information

Molecular Formula
C8H8BrCl
SMILES
CC1=CC(=CC(=C1Cl)C)Br
InChI
InChI=1S/C8H8BrCl/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKey
PKTXUGAXFJNLQR-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
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 134.5
[M+Na]+ 240.93900 140.8
[M+NH4]+ 235.98360 141.2
[M+K]+ 256.91294 139.0
[M-H]- 216.94250 136.4
[M+Na-2H]- 238.92445 139.6
[M]+ 217.94923 135.3
[M]- 217.95033 135.3
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