CID 3088255

Alpha-(4-chlorophenyl)-6-nitro-2-benzofuranmethanol

Structural Information

Molecular Formula
C15H10ClNO4
SMILES
C1=CC(=CC=C1C(C2=CC3=C(O2)C=C(C=C3)[N+](=O)[O-])O)Cl
InChI
InChI=1S/C15H10ClNO4/c16-11-4-1-9(2-5-11)15(18)14-7-10-3-6-12(17(19)20)8-13(10)21-14/h1-8,15,18H
InChIKey
IHILOURZFGSZQJ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(6-nitro-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.02985 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03713 165.6
[M+Na]+ 326.01907 174.3
[M-H]- 302.02257 173.2
[M+NH4]+ 321.06367 181.2
[M+K]+ 341.99301 166.3
[M+H-H2O]+ 286.02711 164.2
[M+HCOO]- 348.02805 184.7
[M+CH3COO]- 362.04370 193.4
[M+Na-2H]- 324.00452 172.1
[M]+ 303.02930 169.2
[M]- 303.03040 169.2
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.