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

11
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

literature stripe

Patent stripe

patents stripe