CID 2063668

1-(4-bromobutoxy)-4-methoxybenzene

Structural Information

Molecular Formula
C11H15BrO2
SMILES
COC1=CC=C(C=C1)OCCCCBr
InChI
InChI=1S/C11H15BrO2/c1-13-10-4-6-11(7-5-10)14-9-3-2-8-12/h4-7H,2-3,8-9H2,1H3
InChIKey
XNMUBVHIMDDDNF-UHFFFAOYSA-N
Compound name
1-(4-bromobutoxy)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

258.02554 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03282 149.8
[M+Na]+ 281.01476 160.3
[M-H]- 257.01826 155.8
[M+NH4]+ 276.05936 170.6
[M+K]+ 296.98870 149.9
[M+H-H2O]+ 241.02280 149.5
[M+HCOO]- 303.02374 171.6
[M+CH3COO]- 317.03939 192.4
[M+Na-2H]- 279.00021 157.1
[M]+ 258.02499 172.0
[M]- 258.02609 172.0
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.