CID 688256

5-(4-nitrophenyl)furfuryl alcohol

Structural Information

Molecular Formula
C11H9NO4
SMILES
C1=CC(=CC=C1C2=CC=C(O2)CO)[N+](=O)[O-]
InChI
InChI=1S/C11H9NO4/c13-7-10-5-6-11(16-10)8-1-3-9(4-2-8)12(14)15/h1-6,13H,7H2
InChIKey
SRCRGLMTENDDRR-UHFFFAOYSA-N
Compound name
[5-(4-nitrophenyl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

219.05316 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.060436 144.6
[M+Na]+ 242.042378 152.2
[M-H]- 218.045884 151.4
[M+NH4]+ 237.086983 161.9
[M+K]+ 258.016318 146.5
[M+H-H2O]+ 202.050420 143.0
[M+HCOO]- 264.051361 169.8
[M+CH3COO]- 278.067011 178.1
[M+Na-2H]- 240.027826 152.2
[M]+ 219.05261142 144.6
[M]- 219.05370858 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe