CID 4447507

3,5-di-tert-butylbenzyl bromide

Structural Information

Molecular Formula
C15H23Br
SMILES
CC(C)(C)C1=CC(=CC(=C1)CBr)C(C)(C)C
InChI
InChI=1S/C15H23Br/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-9H,10H2,1-6H3
InChIKey
SNRYBGHMHAJTTM-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,5-ditert-butylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

251
Patents

282.0983 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10558 162.3
[M+Na]+ 305.08752 173.4
[M-H]- 281.09102 168.8
[M+NH4]+ 300.13212 183.1
[M+K]+ 321.06146 161.9
[M+H-H2O]+ 265.09556 163.1
[M+HCOO]- 327.09650 179.5
[M+CH3COO]- 341.11215 200.7
[M+Na-2H]- 303.07297 168.2
[M]+ 282.09775 182.5
[M]- 282.09885 182.5
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