CID 2795147

1,1'-biphenyl, 4-(4-bromobutoxy)-4'-methoxy-

Structural Information

Molecular Formula
C17H19BrO2
SMILES
COC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCBr
InChI
InChI=1S/C17H19BrO2/c1-19-16-8-4-14(5-9-16)15-6-10-17(11-7-15)20-13-3-2-12-18/h4-11H,2-3,12-13H2,1H3
InChIKey
KWYDPQQRQUDISX-UHFFFAOYSA-N
Compound name
1-(4-bromobutoxy)-4-(4-methoxyphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.05685 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06413 171.1
[M+Na]+ 357.04607 180.9
[M-H]- 333.04957 179.7
[M+NH4]+ 352.09067 188.7
[M+K]+ 373.02001 169.2
[M+H-H2O]+ 317.05411 169.5
[M+HCOO]- 379.05505 192.2
[M+CH3COO]- 393.07070 206.1
[M+Na-2H]- 355.03152 176.7
[M]+ 334.05630 193.1
[M]- 334.05740 193.1
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

No patent data available for this compound.