CID 34679

3,4-dibromotoluene

Structural Information

Molecular Formula
C7H6Br2
SMILES
CC1=CC(=C(C=C1)Br)Br
InChI
InChI=1S/C7H6Br2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
LDCPXNOCWDGYIU-UHFFFAOYSA-N
Compound name
1,2-dibromo-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

422
Patents

247.88364 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.89092 137.9
[M+Na]+ 270.87286 134.2
[M+NH4]+ 265.91746 140.9
[M+K]+ 286.84680 140.0
[M-H]- 246.87636 139.4
[M+Na-2H]- 268.85831 140.7
[M]+ 247.88309 136.8
[M]- 247.88419 136.8
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