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 160.9
[M+Na]+ 299.05578 167.0
[M-H]- 275.05928 167.2
[M+NH4]+ 294.10038 176.3
[M+K]+ 315.02972 158.3
[M+H-H2O]+ 259.06382 158.6
[M+HCOO]- 321.06476 181.6
[M+CH3COO]- 335.08041 195.0
[M+Na-2H]- 297.04123 166.7
[M]+ 276.06601 160.6
[M]- 276.06711 160.6
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.