CID 3521356

118534-36-4

Structural Information

Molecular Formula
C13H11ClN2O3
SMILES
C1=CC=C(C=C1)COC2=CC(=C(C=C2N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H11ClN2O3/c14-10-6-11(15)13(7-12(10)16(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8,15H2
InChIKey
AKEPGVUQZMXFOD-UHFFFAOYSA-N
Compound name
5-chloro-4-nitro-2-phenylmethoxyaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

278.0458 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05308 160.0
[M+Na]+ 301.03502 167.6
[M-H]- 277.03852 166.3
[M+NH4]+ 296.07962 175.4
[M+K]+ 317.00896 158.9
[M+H-H2O]+ 261.04306 157.8
[M+HCOO]- 323.04400 181.6
[M+CH3COO]- 337.05965 193.8
[M+Na-2H]- 299.02047 166.0
[M]+ 278.04525 160.7
[M]- 278.04635 160.7
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.