CID 221858

2-naphthyl 4-nitrobenzoate

Structural Information

Molecular Formula
C17H11NO4
SMILES
C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H11NO4/c19-17(13-5-8-15(9-6-13)18(20)21)22-16-10-7-12-3-1-2-4-14(12)11-16/h1-11H
InChIKey
NVUDBHZHBVZTNS-UHFFFAOYSA-N
Compound name
naphthalen-2-yl 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06882 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07610 164.2
[M+Na]+ 316.05804 170.4
[M-H]- 292.06154 171.8
[M+NH4]+ 311.10264 178.9
[M+K]+ 332.03198 162.9
[M+H-H2O]+ 276.06608 160.2
[M+HCOO]- 338.06702 187.7
[M+CH3COO]- 352.08267 196.0
[M+Na-2H]- 314.04349 172.2
[M]+ 293.06827 163.9
[M]- 293.06937 163.9
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

patents stripe