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 162.2
[M+Na]+ 310.02412 170.1
[M-H]- 286.02762 170.2
[M+NH4]+ 305.06872 177.2
[M+K]+ 325.99806 162.1
[M+H-H2O]+ 270.03216 159.6
[M+HCOO]- 332.03310 180.1
[M+CH3COO]- 346.04875 194.0
[M+Na-2H]- 308.00957 170.6
[M]+ 287.03435 163.3
[M]- 287.03545 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.