CID 42450

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

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C(C=C1)C2C(=CC3=CC=CC=C3O2)[N+](=O)[O-]
InChI
InChI=1S/C15H11NO3/c17-16(18)13-10-12-8-4-5-9-14(12)19-15(13)11-6-2-1-3-7-11/h1-10,15H
InChIKey
ULXCGRAUCRLSRG-UHFFFAOYSA-N
Compound name
3-nitro-2-phenyl-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

253.0739 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 153.7
[M+Na]+ 276.06312 160.3
[M-H]- 252.06662 161.9
[M+NH4]+ 271.10772 169.1
[M+K]+ 292.03706 153.7
[M+H-H2O]+ 236.07116 150.2
[M+HCOO]- 298.07210 176.3
[M+CH3COO]- 312.08775 189.2
[M+Na-2H]- 274.04857 163.6
[M]+ 253.07335 152.1
[M]- 253.07445 152.1
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.