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]+ 288.042176 162.2
[M+Na]+ 310.024118 170.1
[M-H]- 286.027624 170.2
[M+NH4]+ 305.068723 177.2
[M+K]+ 325.998058 162.1
[M+H-H2O]+ 270.032160 159.6
[M+HCOO]- 332.033101 180.1
[M+CH3COO]- 346.048751 194.0
[M+Na-2H]- 308.009566 170.6
[M]+ 287.03435142 163.3
[M]- 287.03544858 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.