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

34
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

literature stripe

Patent stripe

patents stripe