CID 5022671

288155-05-5

Structural Information

Molecular Formula
C14H13ClN2O2
SMILES
CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H13ClN2O2/c1-10(11-5-3-2-4-6-11)16-13-8-7-12(15)9-14(13)17(18)19/h2-10,16H,1H3
InChIKey
FRDYKCBJBLZPEL-UHFFFAOYSA-N
Compound name
4-chloro-2-nitro-N-(1-phenylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.06656 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07384 159.7
[M+Na]+ 299.05578 175.1
[M+NH4]+ 294.10038 168.7
[M+K]+ 315.02972 169.4
[M-H]- 275.05928 166.4
[M+Na-2H]- 297.04123 169.1
[M]+ 276.06601 164.1
[M]- 276.06711 164.1
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.