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]+ 216.065516 144.6
[M+Na]+ 238.047458 152.4
[M-H]- 214.050964 152.5
[M+NH4]+ 233.092063 163.1
[M+K]+ 254.021398 151.0
[M+H-H2O]+ 198.055500 138.0
[M+HCOO]- 260.056441 170.7
[M+CH3COO]- 274.072091 186.6
[M+Na-2H]- 236.032906 150.7
[M]+ 215.05769142 146.3
[M]- 215.05878858 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.