CID 79591243

Refchem:545682

Structural Information

Molecular Formula
C9H15Br
SMILES
CC(=CC(=CCCBr)C)C
InChI
InChI=1S/C9H15Br/c1-8(2)7-9(3)5-4-6-10/h5,7H,4,6H2,1-3H3
InChIKey
OMBPZEDITHAOJO-UHFFFAOYSA-N
Compound name
7-bromo-2,4-dimethylhepta-2,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0357 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 141.6
[M+Na]+ 225.024918 151.5
[M-H]- 201.028424 144.4
[M+NH4]+ 220.069523 164.5
[M+K]+ 240.998858 140.4
[M+H-H2O]+ 185.032960 142.4
[M+HCOO]- 247.033901 160.4
[M+CH3COO]- 261.049551 185.3
[M+Na-2H]- 223.010366 145.8
[M]+ 202.03515142 159.5
[M]- 202.03624858 159.5
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

No patent data available for this compound.