CID 45054394

853310-23-3

Structural Information

Molecular Formula
C12H10ClNO3
SMILES
COC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)N)Cl
InChI
InChI=1S/C12H10ClNO3/c1-16-10-3-2-7(6-8(10)13)9-4-5-11(17-9)12(14)15/h2-6H,1H3,(H2,14,15)
InChIKey
XPDWEUJHVGQNFY-UHFFFAOYSA-N
Compound name
5-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03493 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04221 153.6
[M+Na]+ 274.02415 163.6
[M-H]- 250.02765 161.4
[M+NH4]+ 269.06875 171.8
[M+K]+ 289.99809 160.5
[M+H-H2O]+ 234.03219 147.9
[M+HCOO]- 296.03313 174.1
[M+CH3COO]- 310.04878 193.6
[M+Na-2H]- 272.00960 156.5
[M]+ 251.03438 157.9
[M]- 251.03548 157.9
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.