CID 19828176

Benzene, 1-(1-bromoethyl)-4-propyl-

Structural Information

Molecular Formula
C11H15Br
SMILES
CCCC1=CC=C(C=C1)C(C)Br
InChI
InChI=1S/C11H15Br/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-9H,3-4H2,1-2H3
InChIKey
MHNNDAXVFACOCB-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-4-propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.0357 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04298 144.6
[M+Na]+ 249.02492 155.1
[M-H]- 225.02842 150.7
[M+NH4]+ 244.06952 166.6
[M+K]+ 264.99886 144.1
[M+H-H2O]+ 209.03296 144.9
[M+HCOO]- 271.03390 165.0
[M+CH3COO]- 285.04955 189.6
[M+Na-2H]- 247.01037 150.8
[M]+ 226.03515 163.5
[M]- 226.03625 163.5
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

patents stripe