CID 42452

6-bromo-3-nitro-2-phenyl-2h-1-benzopyran

Structural Information

Molecular Formula
C15H10BrNO3
SMILES
C1=CC=C(C=C1)C2C(=CC3=C(O2)C=CC(=C3)Br)[N+](=O)[O-]
InChI
InChI=1S/C15H10BrNO3/c16-12-6-7-14-11(8-12)9-13(17(18)19)15(20-14)10-4-2-1-3-5-10/h1-9,15H
InChIKey
KWFAUCDKPIFSQC-UHFFFAOYSA-N
Compound name
6-bromo-3-nitro-2-phenyl-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.9844 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.99168 169.2
[M+Na]+ 353.97362 178.8
[M-H]- 329.97712 179.6
[M+NH4]+ 349.01822 185.4
[M+K]+ 369.94756 164.8
[M+H-H2O]+ 313.98166 171.6
[M+HCOO]- 375.98260 189.0
[M+CH3COO]- 389.99825 199.6
[M+Na-2H]- 351.95907 178.3
[M]+ 330.98385 187.2
[M]- 330.98495 187.2
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.