CID 578191

1-(4-bromobutyl)-4-methoxybenzene

Structural Information

Molecular Formula
C11H15BrO
SMILES
COC1=CC=C(C=C1)CCCCBr
InChI
InChI=1S/C11H15BrO/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8H,2-4,9H2,1H3
InChIKey
ORLVTTVUPUULCW-UHFFFAOYSA-N
Compound name
1-(4-bromobutyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

242.03062 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.037896 147.0
[M+Na]+ 265.019838 157.7
[M-H]- 241.023344 153.0
[M+NH4]+ 260.064443 168.4
[M+K]+ 280.993778 146.8
[M+H-H2O]+ 225.027880 147.0
[M+HCOO]- 287.028821 168.6
[M+CH3COO]- 301.044471 190.6
[M+Na-2H]- 263.005286 154.3
[M]+ 242.03007142 167.9
[M]- 242.03116858 167.9
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