CID 66175

1,4-dibromo-2,5-dimethylbenzene

Structural Information

Molecular Formula
C8H8Br2
SMILES
CC1=CC(=C(C=C1Br)C)Br
InChI
InChI=1S/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
InChIKey
QENIALCDPFDFHX-UHFFFAOYSA-N
Compound name
1,4-dibromo-2,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

907
Patents

261.8993 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.90658 140.8
[M+Na]+ 284.88852 137.2
[M+NH4]+ 279.93312 143.7
[M+K]+ 300.86246 143.0
[M-H]- 260.89202 142.3
[M+Na-2H]- 282.87397 143.3
[M]+ 261.89875 139.7
[M]- 261.89985 139.7
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