CID 42451

6-chloro-3-nitro-2-phenyl-2h-1-benzopyran

Structural Information

Molecular Formula
C15H10ClNO3
SMILES
C1=CC=C(C=C1)C2C(=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H10ClNO3/c16-12-6-7-14-11(8-12)9-13(17(18)19)15(20-14)10-4-2-1-3-5-10/h1-9,15H
InChIKey
PWJBINFPOKELBF-UHFFFAOYSA-N
Compound name
6-chloro-3-nitro-2-phenyl-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0349 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04218 159.3
[M+Na]+ 310.02412 177.4
[M+NH4]+ 305.06872 169.4
[M+K]+ 325.99806 171.0
[M-H]- 286.02762 167.9
[M+Na-2H]- 308.00957 168.6
[M]+ 287.03435 164.9
[M]- 287.03545 164.9
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

No patent data available for this compound.