CID 720971

40105-91-7

Structural Information

Molecular Formula
C11H9NO4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)CO
InChI
InChI=1S/C11H9NO4/c13-7-10-4-5-11(16-10)8-2-1-3-9(6-8)12(14)15/h1-6,13H,7H2
InChIKey
FYHBDKDVWMCYFS-UHFFFAOYSA-N
Compound name
[5-(3-nitrophenyl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe