CID 53938151

5-bromo-2-(bromomethyl)-1,3-dimethylbenzene

Structural Information

Molecular Formula
C9H10Br2
SMILES
CC1=CC(=CC(=C1CBr)C)Br
InChI
InChI=1S/C9H10Br2/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4H,5H2,1-2H3
InChIKey
IVWRYPIWVUXBNA-UHFFFAOYSA-N
Compound name
5-bromo-2-(bromomethyl)-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

275.91492 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92220 136.8
[M+Na]+ 298.90414 148.9
[M-H]- 274.90764 144.1
[M+NH4]+ 293.94874 157.3
[M+K]+ 314.87808 133.4
[M+H-H2O]+ 258.91218 145.3
[M+HCOO]- 320.91312 153.4
[M+CH3COO]- 334.92877 202.6
[M+Na-2H]- 296.88959 143.8
[M]+ 275.91437 171.4
[M]- 275.91547 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe