CID 4499001

351003-28-6

Structural Information

Molecular Formula
C15H9ClN2O4
SMILES
C1=CC(=CC=C1C(=O)C2=C(C3=C(O2)C=C(C=C3)[N+](=O)[O-])N)Cl
InChI
InChI=1S/C15H9ClN2O4/c16-9-3-1-8(2-4-9)14(19)15-13(17)11-6-5-10(18(20)21)7-12(11)22-15/h1-7H,17H2
InChIKey
DDGLTLBWGQVJNN-UHFFFAOYSA-N
Compound name
(3-amino-6-nitro-1-benzofuran-2-yl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0251 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.03238 169.7
[M+Na]+ 339.01432 179.0
[M-H]- 315.01782 178.5
[M+NH4]+ 334.05892 185.0
[M+K]+ 354.98826 170.9
[M+H-H2O]+ 299.02236 167.9
[M+HCOO]- 361.02330 190.8
[M+CH3COO]- 375.03895 200.5
[M+Na-2H]- 336.99977 175.6
[M]+ 316.02455 173.2
[M]- 316.02565 173.2
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.