CID 4430614

882748-35-8

Structural Information

Molecular Formula
C15H13ClN2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCNC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H13ClN2O3/c16-12-4-6-13(7-5-12)17-9-8-15(19)11-2-1-3-14(10-11)18(20)21/h1-7,10,17H,8-9H2
InChIKey
FREUSOCSLXNLCH-UHFFFAOYSA-N
Compound name
3-(4-chloroanilino)-1-(3-nitrophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.06146 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06874 167.9
[M+Na]+ 327.05068 173.7
[M-H]- 303.05418 174.0
[M+NH4]+ 322.09528 182.0
[M+K]+ 343.02462 164.7
[M+H-H2O]+ 287.05872 165.2
[M+HCOO]- 349.05966 188.7
[M+CH3COO]- 363.07531 199.1
[M+Na-2H]- 325.03613 173.3
[M]+ 304.06091 168.5
[M]- 304.06201 168.5
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.