CID 14766224

2-bromo-1-(bromomethyl)-4-methylbenzene

Structural Information

Molecular Formula
C8H8Br2
SMILES
CC1=CC(=C(C=C1)CBr)Br
InChI
InChI=1S/C8H8Br2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,5H2,1H3
InChIKey
KYIWEVXOEHKTRT-UHFFFAOYSA-N
Compound name
2-bromo-1-(bromomethyl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

261.8993 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.90658 133.5
[M+Na]+ 284.88852 145.2
[M-H]- 260.89202 140.7
[M+NH4]+ 279.93312 154.2
[M+K]+ 300.86246 130.0
[M+H-H2O]+ 244.89656 142.2
[M+HCOO]- 306.89750 150.4
[M+CH3COO]- 320.91315 199.5
[M+Na-2H]- 282.87397 141.5
[M]+ 261.89875 167.6
[M]- 261.89985 167.6
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