CID 54689764

6-chloro-4-hydroxy-7-methyl-3-[(e)-3-(2-nitrophenyl)prop-2-enoyl]chromen-2-one

Structural Information

Molecular Formula
C19H12ClNO6
SMILES
CC1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-])O
InChI
InChI=1S/C19H12ClNO6/c1-10-8-16-12(9-13(10)20)18(23)17(19(24)27-16)15(22)7-6-11-4-2-3-5-14(11)21(25)26/h2-9,23H,1H3/b7-6+
InChIKey
LWCOPWZBKLURSL-VOTSOKGWSA-N
Compound name
6-chloro-4-hydroxy-7-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.0353 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.04258 185.8
[M+Na]+ 408.02452 194.9
[M-H]- 384.02802 193.5
[M+NH4]+ 403.06912 196.5
[M+K]+ 423.99846 186.3
[M+H-H2O]+ 368.03256 182.9
[M+HCOO]- 430.03350 202.2
[M+CH3COO]- 444.04915 210.9
[M+Na-2H]- 406.00997 190.3
[M]+ 385.03475 190.5
[M]- 385.03585 190.5
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.