CID 22569018

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
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

No literature data available for this compound.

Patent stripe

patents stripe