CID 66175

1074-24-4

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
3
Annotation Hits

1
References

842
Patents

261.8993 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.906576 132.6
[M+Na]+ 284.888518 145.0
[M-H]- 260.892024 140.0
[M+NH4]+ 279.933123 153.6
[M+K]+ 300.862458 129.7
[M+H-H2O]+ 244.896560 141.3
[M+HCOO]- 306.897501 149.5
[M+CH3COO]- 320.913151 200.3
[M+Na-2H]- 282.873966 140.1
[M]+ 261.89875142 167.0
[M]- 261.89984858 167.0
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