CID 381495

Nsc668217

Structural Information

Molecular Formula
C17H14ClNO5
SMILES
COC1=C(C=C(C=C1)C2C(=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-])OC
InChI
InChI=1S/C17H14ClNO5/c1-22-15-5-3-10(9-16(15)23-2)17-13(19(20)21)8-11-7-12(18)4-6-14(11)24-17/h3-9,17H,1-2H3
InChIKey
JVADFMNGKNKTEX-UHFFFAOYSA-N
Compound name
6-chloro-2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.05606 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.06334 178.0
[M+Na]+ 370.04528 186.3
[M-H]- 346.04878 186.4
[M+NH4]+ 365.08988 191.0
[M+K]+ 386.01922 179.4
[M+H-H2O]+ 330.05332 174.9
[M+HCOO]- 392.05426 195.4
[M+CH3COO]- 406.06991 206.6
[M+Na-2H]- 368.03073 184.5
[M]+ 347.05551 183.3
[M]- 347.05661 183.3
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.