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

0
Patents

219.05316 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 144.6
[M+Na]+ 242.04238 152.2
[M-H]- 218.04588 151.4
[M+NH4]+ 237.08698 161.9
[M+K]+ 258.01632 146.5
[M+H-H2O]+ 202.05042 143.0
[M+HCOO]- 264.05136 169.8
[M+CH3COO]- 278.06701 178.1
[M+Na-2H]- 240.02783 152.2
[M]+ 219.05261 144.6
[M]- 219.05371 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