CID 68471

2-bromo-m-xylene

Structural Information

Molecular Formula
C8H9Br
SMILES
CC1=C(C(=CC=C1)C)Br
InChI
InChI=1S/C8H9Br/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey
MYMYVYZLMUEVED-UHFFFAOYSA-N
Compound name
2-bromo-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1557
Patents

183.98875 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99603 128.7
[M+Na]+ 206.97797 133.9
[M+NH4]+ 202.02257 135.1
[M+K]+ 222.95191 132.8
[M-H]- 182.98147 130.6
[M+Na-2H]- 204.96342 134.0
[M]+ 183.98820 129.0
[M]- 183.98930 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe