CID 123403

1-chloro-2-methyl-4-(4-nitrophenoxy)benzene

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]+ 264.042176 155.9
[M+Na]+ 286.024118 164.5
[M-H]- 262.027624 162.8
[M+NH4]+ 281.068723 172.6
[M+K]+ 301.998058 156.2
[M+H-H2O]+ 246.032160 154.0
[M+HCOO]- 308.033101 177.1
[M+CH3COO]- 322.048751 189.7
[M+Na-2H]- 284.009566 162.4
[M]+ 263.03435142 158.3
[M]- 263.03544858 158.3
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.