CID 9693234

(4-(2-(2-fluorobenzoyl)carbohydrazonoyl)phenoxy)acetic acid

Structural Information

Molecular Formula
C16H13FN2O4
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)O)F
InChI
InChI=1S/C16H13FN2O4/c17-14-4-2-1-3-13(14)16(22)19-18-9-11-5-7-12(8-6-11)23-10-15(20)21/h1-9H,10H2,(H,19,22)(H,20,21)/b18-9+
InChIKey
IXKONPXKAKJQFQ-GIJQJNRQSA-N
Compound name
2-[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08594 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.093216 169.3
[M+Na]+ 339.075158 175.1
[M-H]- 315.078664 174.6
[M+NH4]+ 334.119763 182.5
[M+K]+ 355.049098 172.0
[M+H-H2O]+ 299.083200 159.6
[M+HCOO]- 361.084141 193.3
[M+CH3COO]- 375.099791 209.4
[M+Na-2H]- 337.060606 172.7
[M]+ 316.08539142 169.4
[M]- 316.08648858 169.4
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.