CID 74252

1-methoxy-3-phenoxybenzene

Structural Information

Molecular Formula
C13H12O2
SMILES
COC1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C13H12O2/c1-14-12-8-5-9-13(10-12)15-11-6-3-2-4-7-11/h2-10H,1H3
InChIKey
CBVXNDCIOLXDFD-UHFFFAOYSA-N
Compound name
1-methoxy-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

221
Patents

200.08372 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 141.5
[M+Na]+ 223.07294 149.5
[M-H]- 199.07644 148.5
[M+NH4]+ 218.11754 160.6
[M+K]+ 239.04688 147.0
[M+H-H2O]+ 183.08098 134.4
[M+HCOO]- 245.08192 166.8
[M+CH3COO]- 259.09757 184.3
[M+Na-2H]- 221.05839 149.5
[M]+ 200.08317 143.5
[M]- 200.08427 143.5
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