CID 18996138

4-(3-bromophenyl)-4-methoxyoxane

Structural Information

Molecular Formula
C12H15BrO2
SMILES
COC1(CCOCC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C12H15BrO2/c1-14-12(5-7-15-8-6-12)10-3-2-4-11(13)9-10/h2-4,9H,5-8H2,1H3
InChIKey
DSBVUPWJEBFYJS-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)-4-methoxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

270.02554 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.032816 153.2
[M+Na]+ 293.014758 162.4
[M-H]- 269.018264 162.4
[M+NH4]+ 288.059363 173.6
[M+K]+ 308.988698 153.6
[M+H-H2O]+ 253.022800 153.3
[M+HCOO]- 315.023741 171.2
[M+CH3COO]- 329.039391 191.6
[M+Na-2H]- 291.000206 161.2
[M]+ 270.02499142 170.4
[M]- 270.02608858 170.4
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