CID 690980

63098-85-1

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC=C(C(=C1)C(=O)O)N=CC2=CC=CO2
InChI
InChI=1S/C12H9NO3/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-8H,(H,14,15)
InChIKey
WRRBRKFIQKGYFF-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylideneamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

215.05824 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 144.6
[M+Na]+ 238.04746 152.4
[M-H]- 214.05096 152.5
[M+NH4]+ 233.09206 163.1
[M+K]+ 254.02140 151.0
[M+H-H2O]+ 198.05550 138.0
[M+HCOO]- 260.05644 170.7
[M+CH3COO]- 274.07209 186.6
[M+Na-2H]- 236.03291 150.7
[M]+ 215.05769 146.3
[M]- 215.05879 146.3
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

No patent data available for this compound.