CID 140846

2-bromo-1,3,5-triisopropylbenzene

Structural Information

Molecular Formula
C15H23Br
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)Br)C(C)C
InChI
InChI=1S/C15H23Br/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,1-6H3
InChIKey
FUMMYHVKFAHQST-UHFFFAOYSA-N
Compound name
2-bromo-1,3,5-tri(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

282.0983 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10558 161.1
[M+Na]+ 305.08752 171.2
[M-H]- 281.09102 167.4
[M+NH4]+ 300.13212 181.5
[M+K]+ 321.06146 160.2
[M+H-H2O]+ 265.09556 161.1
[M+HCOO]- 327.09650 178.3
[M+CH3COO]- 341.11215 204.6
[M+Na-2H]- 303.07297 161.6
[M]+ 282.09775 180.8
[M]- 282.09885 180.8
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