CID 76943

1-methyl-4-(4-nitrophenoxy)benzene

Structural Information

Molecular Formula
C13H11NO3
SMILES
CC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11NO3/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3
InChIKey
OCIIHACECRRKPN-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-nitrophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

229.0739 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.081176 148.6
[M+Na]+ 252.063118 155.9
[M-H]- 228.066624 155.7
[M+NH4]+ 247.107723 165.6
[M+K]+ 268.037058 149.2
[M+H-H2O]+ 212.071160 145.8
[M+HCOO]- 274.072101 174.6
[M+CH3COO]- 288.087751 184.9
[M+Na-2H]- 250.048566 156.6
[M]+ 229.07335142 148.4
[M]- 229.07444858 148.4
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

No patent data available for this compound.