CID 113317

Benzene, 1-(dibromomethyl)-3-methyl-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

261.8993 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.90658 140.2
[M+Na]+ 284.88852 136.0
[M+NH4]+ 279.93312 143.0
[M+K]+ 300.86246 142.1
[M-H]- 260.89202 141.5
[M+Na-2H]- 282.87397 142.8
[M]+ 261.89875 139.0
[M]- 261.89985 139.0
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