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

250
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 135.6
[M+Na]+ 284.88852 146.4
[M-H]- 260.89202 142.5
[M+NH4]+ 279.93312 156.0
[M+K]+ 300.86246 131.4
[M+H-H2O]+ 244.89656 144.2
[M+HCOO]- 306.89750 151.7
[M+CH3COO]- 320.91315 199.3
[M+Na-2H]- 282.87397 143.0
[M]+ 261.89875 168.9
[M]- 261.89985 168.9
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