CID 763808

5-(2-chloro-4-nitrophenyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C11H6ClNO5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C11H6ClNO5/c12-8-5-6(13(16)17)1-2-7(8)9-3-4-10(18-9)11(14)15/h1-5H,(H,14,15)
InChIKey
HDIHNBCCQWMVBW-UHFFFAOYSA-N
Compound name
5-(2-chloro-4-nitrophenyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

266.99344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00072 154.4
[M+Na]+ 289.98266 162.9
[M-H]- 265.98616 161.2
[M+NH4]+ 285.02726 170.4
[M+K]+ 305.95660 156.2
[M+H-H2O]+ 249.99070 153.8
[M+HCOO]- 311.99164 174.2
[M+CH3COO]- 326.00729 185.0
[M+Na-2H]- 287.96811 159.6
[M]+ 266.99289 156.9
[M]- 266.99399 156.9
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