CID 74351

1-methyl-4-phenoxybenzene

Structural Information

Molecular Formula
C13H12O
SMILES
CC1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C13H12O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
SSTNIXFHCIOCJI-UHFFFAOYSA-N
Compound name
1-methyl-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3578
Patents

184.08882 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09610 139.1
[M+Na]+ 207.07804 155.4
[M+NH4]+ 202.12264 149.6
[M+K]+ 223.05198 146.5
[M-H]- 183.08154 145.0
[M+Na-2H]- 205.06349 150.7
[M]+ 184.08827 143.4
[M]- 184.08937 143.4
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