CID 5271531

644973-60-4

Structural Information

Molecular Formula
C15H10ClNO4
SMILES
C1C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H10ClNO4/c16-11-6-5-9(7-12(11)17(19)20)15-8-13(18)10-3-1-2-4-14(10)21-15/h1-7,15H,8H2
InChIKey
ULAYFLFPORCMDJ-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-nitrophenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.02985 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03713 165.4
[M+Na]+ 326.01907 173.3
[M-H]- 302.02257 173.5
[M+NH4]+ 321.06367 179.9
[M+K]+ 341.99301 165.6
[M+H-H2O]+ 286.02711 162.9
[M+HCOO]- 348.02805 182.2
[M+CH3COO]- 362.04370 196.8
[M+Na-2H]- 324.00452 172.5
[M]+ 303.02930 166.2
[M]- 303.03040 166.2
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.