CID 42458

2-(2-chlorophenyl)-6-methoxy-3-nitro-2h-1-benzopyran

Structural Information

Molecular Formula
C16H12ClNO4
SMILES
COC1=CC2=C(C=C1)OC(C(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl
InChI
InChI=1S/C16H12ClNO4/c1-21-11-6-7-15-10(8-11)9-14(18(19)20)16(22-15)12-4-2-3-5-13(12)17/h2-9,16H,1H3
InChIKey
VPJVBBAMWDOBIZ-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-6-methoxy-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.04547 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05275 166.9
[M+Na]+ 340.03469 184.7
[M+NH4]+ 335.07929 176.3
[M+K]+ 356.00863 178.8
[M-H]- 316.03819 175.0
[M+Na-2H]- 338.02014 175.3
[M]+ 317.04492 172.3
[M]- 317.04602 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.