CID 285561

(5-bromopentyl)benzene

Structural Information

Molecular Formula
C11H15Br
SMILES
C1=CC=C(C=C1)CCCCCBr
InChI
InChI=1S/C11H15Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
QICUPOFVENZWSC-UHFFFAOYSA-N
Compound name
5-bromopentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

601
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 154.5
[M-H]- 225.02842 150.3
[M+NH4]+ 244.06952 166.5
[M+K]+ 264.99886 143.2
[M+H-H2O]+ 209.03296 144.8
[M+HCOO]- 271.03390 166.0
[M+CH3COO]- 285.04955 187.9
[M+Na-2H]- 247.01037 152.7
[M]+ 226.03515 163.8
[M]- 226.03625 163.8
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