CID 42459

6-bromo-2-(4-chlorophenyl)-3-nitro-2h-1-benzopyran

Structural Information

Molecular Formula
C15H9BrClNO3
SMILES
C1=CC(=CC=C1C2C(=CC3=C(O2)C=CC(=C3)Br)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H9BrClNO3/c16-11-3-6-14-10(7-11)8-13(18(19)20)15(21-14)9-1-4-12(17)5-2-9/h1-8,15H
InChIKey
AXBUMWJREQIWBE-UHFFFAOYSA-N
Compound name
6-bromo-2-(4-chlorophenyl)-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

364.94543 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.95271 175.8
[M+Na]+ 387.93465 187.0
[M-H]- 363.93815 186.2
[M+NH4]+ 382.97925 191.8
[M+K]+ 403.90859 171.6
[M+H-H2O]+ 347.94269 179.1
[M+HCOO]- 409.94363 191.2
[M+CH3COO]- 423.95928 204.1
[M+Na-2H]- 385.92010 183.8
[M]+ 364.94488 196.4
[M]- 364.94598 196.4
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

patents stripe