CID 381154

Nsc667472

Structural Information

Molecular Formula
C19H12ClNO3
SMILES
C1=CC=C2C(=C1)C=CC=C2C3C(=CC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]
InChI
InChI=1S/C19H12ClNO3/c20-14-8-9-18-13(10-14)11-17(21(22)23)19(24-18)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,19H
InChIKey
YMXKIRWWZRAINA-UHFFFAOYSA-N
Compound name
6-chloro-2-naphthalen-1-yl-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.05057 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.05785 175.9
[M+Na]+ 360.03979 183.8
[M-H]- 336.04329 184.5
[M+NH4]+ 355.08439 189.7
[M+K]+ 376.01373 174.8
[M+H-H2O]+ 320.04783 172.0
[M+HCOO]- 382.04877 191.8
[M+CH3COO]- 396.06442 205.2
[M+Na-2H]- 358.02524 184.3
[M]+ 337.05002 177.4
[M]- 337.05112 177.4
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.