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]+ 317.09322 169.3
[M+Na]+ 339.07516 175.1
[M-H]- 315.07866 174.6
[M+NH4]+ 334.11976 182.5
[M+K]+ 355.04910 172.0
[M+H-H2O]+ 299.08320 159.6
[M+HCOO]- 361.08414 193.3
[M+CH3COO]- 375.09979 209.4
[M+Na-2H]- 337.06061 172.7
[M]+ 316.08539 169.4
[M]- 316.08649 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.