CID 702695

3-(5-nitro-2-furyl)acrylic acid

Structural Information

Molecular Formula
C7H5NO5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=O)O
InChI
InChI=1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)/b4-2+
InChIKey
LWOWNIPZHGWKNR-DUXPYHPUSA-N
Compound name
(E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

32
References

57
Patents

183.01677 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02405 134.6
[M+Na]+ 206.00599 142.2
[M-H]- 182.00949 138.0
[M+NH4]+ 201.05059 153.2
[M+K]+ 221.97993 137.8
[M+H-H2O]+ 166.01403 134.2
[M+HCOO]- 228.01497 159.3
[M+CH3COO]- 242.03062 169.2
[M+Na-2H]- 203.99144 141.6
[M]+ 183.01622 134.4
[M]- 183.01732 134.4
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.