CID 727036

(2-chloro-5-nitrophenyl)methyl 2-phenylacetate

Structural Information

Molecular Formula
C15H12ClNO4
SMILES
C1=CC=C(C=C1)CC(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H12ClNO4/c16-14-7-6-13(17(19)20)9-12(14)10-21-15(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKey
RTEURPYXGYUFOP-UHFFFAOYSA-N
Compound name
(2-chloro-5-nitrophenyl)methyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04547 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05275 164.8
[M+Na]+ 328.03469 180.4
[M+NH4]+ 323.07929 172.8
[M+K]+ 344.00863 175.1
[M-H]- 304.03819 170.0
[M+Na-2H]- 326.02014 173.3
[M]+ 305.04492 168.8
[M]- 305.04602 168.8
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.