CID 29528

19281-37-9

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C(=O)C=C2)O
InChI
InChI=1S/C14H11NO3/c16-12-8-6-11(7-9-13(12)17)15-14(18)10-4-2-1-3-5-10/h1-9H,(H,15,18)(H,16,17)
InChIKey
VJYMHMURUDYNNO-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

241.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 150.5
[M+Na]+ 264.06312 156.1
[M-H]- 240.06662 157.5
[M+NH4]+ 259.10772 165.9
[M+K]+ 280.03706 158.2
[M+H-H2O]+ 224.07116 144.7
[M+HCOO]- 286.07210 173.7
[M+CH3COO]- 300.08775 192.6
[M+Na-2H]- 262.04857 155.5
[M]+ 241.07335 147.0
[M]- 241.07445 147.0
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

patents stripe