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

273
Patents

261.8993 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.906576 135.6
[M+Na]+ 284.888518 146.4
[M-H]- 260.892024 142.5
[M+NH4]+ 279.933123 156.0
[M+K]+ 300.862458 131.4
[M+H-H2O]+ 244.896560 144.2
[M+HCOO]- 306.897501 151.7
[M+CH3COO]- 320.913151 199.3
[M+Na-2H]- 282.873966 143.0
[M]+ 261.89875142 168.9
[M]- 261.89984858 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