CID 12110

4-nitrophenyl phenyl ether

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H9NO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
InChIKey
JDTMUJBWSGNMGR-UHFFFAOYSA-N
Compound name
1-nitro-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

882
Patents

215.05824 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.065516 144.1
[M+Na]+ 238.047458 150.9
[M-H]- 214.050964 151.0
[M+NH4]+ 233.092063 161.4
[M+K]+ 254.021398 144.4
[M+H-H2O]+ 198.055500 141.3
[M+HCOO]- 260.056441 170.4
[M+CH3COO]- 274.072091 180.8
[M+Na-2H]- 236.032906 153.3
[M]+ 215.05769142 143.2
[M]- 215.05878858 143.2
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