CID 74253

1-methoxy-4-phenoxybenzene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

792
Patents

200.08372 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.090996 141.5
[M+Na]+ 223.072938 149.5
[M-H]- 199.076444 148.5
[M+NH4]+ 218.117543 160.6
[M+K]+ 239.046878 147.0
[M+H-H2O]+ 183.080980 134.4
[M+HCOO]- 245.081921 166.8
[M+CH3COO]- 259.097571 184.3
[M+Na-2H]- 221.058386 149.5
[M]+ 200.08317142 143.5
[M]- 200.08426858 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