CID 34681

2,6-dibromotoluene

Structural Information

Molecular Formula
C7H6Br2
SMILES
CC1=C(C=CC=C1Br)Br
InChI
InChI=1S/C7H6Br2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKey
OCSKCBIGEMSDIS-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1398
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 129.3
[M+Na]+ 270.87286 141.4
[M-H]- 246.87636 136.6
[M+NH4]+ 265.91746 150.5
[M+K]+ 286.84680 126.3
[M+H-H2O]+ 230.88090 138.2
[M+HCOO]- 292.88184 146.5
[M+CH3COO]- 306.89749 197.2
[M+Na-2H]- 268.85831 137.8
[M]+ 247.88309 163.2
[M]- 247.88419 163.2
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