CID 138089

3975-77-7

Structural Information

Molecular Formula
C18H29Br
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)Br)C(C)(C)C
InChI
InChI=1S/C18H29Br/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,1-9H3
InChIKey
JOKZWHPYNRDCOA-UHFFFAOYSA-N
Compound name
2-bromo-1,3,5-tritert-butylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

324.14526 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15254 173.7
[M+Na]+ 347.13448 184.8
[M-H]- 323.13798 180.4
[M+NH4]+ 342.17908 193.2
[M+K]+ 363.10842 173.3
[M+H-H2O]+ 307.14252 174.7
[M+HCOO]- 369.14346 188.4
[M+CH3COO]- 383.15911 210.1
[M+Na-2H]- 345.11993 178.5
[M]+ 324.14471 194.5
[M]- 324.14581 194.5
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