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

5401
Patents

184.08882 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.096096 137.9
[M+Na]+ 207.078038 146.0
[M-H]- 183.081544 144.9
[M+NH4]+ 202.122643 157.7
[M+K]+ 223.051978 143.0
[M+H-H2O]+ 167.086080 131.1
[M+HCOO]- 229.087021 163.0
[M+CH3COO]- 243.102671 182.3
[M+Na-2H]- 205.063486 146.0
[M]+ 184.08827142 138.5
[M]- 184.08936858 138.5
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