CID 2752645

1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene

Structural Information

Molecular Formula
C12H16Br2
SMILES
CC1=C(C(=C(C(=C1CBr)C)C)CBr)C
InChI
InChI=1S/C12H16Br2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h5-6H2,1-4H3
InChIKey
OREPDRBSWICSCF-UHFFFAOYSA-N
Compound name
1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

80
Patents

317.96188 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.96916 147.4
[M+Na]+ 340.95110 159.7
[M-H]- 316.95460 154.7
[M+NH4]+ 335.99570 167.0
[M+K]+ 356.92504 143.6
[M+H-H2O]+ 300.95914 155.4
[M+HCOO]- 362.96008 163.0
[M+CH3COO]- 376.97573 211.2
[M+Na-2H]- 338.93655 151.9
[M]+ 317.96133 183.2
[M]- 317.96243 183.2
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