CID 123403

4-chloro-m-tolyl-p-nitrophenyl ether

Structural Information

Molecular Formula
C13H10ClNO3
SMILES
CC1=C(C=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H10ClNO3/c1-9-8-12(6-7-13(9)14)18-11-4-2-10(3-5-11)15(16)17/h2-8H,1H3
InChIKey
MNBIAOIXTNGEQR-UHFFFAOYSA-N
Compound name
1-chloro-2-methyl-4-(4-nitrophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0349 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04218 153.7
[M+Na]+ 286.02412 170.9
[M+NH4]+ 281.06872 163.1
[M+K]+ 301.99806 165.0
[M-H]- 262.02762 160.0
[M+Na-2H]- 284.00957 163.5
[M]+ 263.03435 158.4
[M]- 263.03545 158.4
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.