CID 42460

2-(4-chlorophenyl)-8-methoxy-3-nitro-2h-1-benzopyran

Structural Information

Molecular Formula
C16H12ClNO4
SMILES
COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H12ClNO4/c1-21-14-4-2-3-11-9-13(18(19)20)15(22-16(11)14)10-5-7-12(17)8-6-10/h2-9,15H,1H3
InChIKey
QPWTVCSDBXVHHT-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-8-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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.