CID 491922

Schembl16012104

Structural Information

Molecular Formula

C₁₃H₁₀F₂N₂O₂

SMILES

C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)NN)O

InChI

InChI=1S/C13H10F2N2O2/c14-8-2-3-9(11(15)6-8)7-1-4-12(18)10(5-7)13(19)17-16/h1-6,18H,16H2,(H,17,19)

InChIKey

ZROCOAXTQULQOF-UHFFFAOYSA-N

Compound name

5-(2,4-difluorophenyl)-2-hydroxybenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 264.07104 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.07832	155.5
[M+Na]+	287.06026	164.2
[M-H]-	263.06376	158.8
[M+NH4]+	282.10486	170.8
[M+K]+	303.03420	159.4
[M+H-H2O]+	247.06830	146.5
[M+HCOO]-	309.06924	177.5
[M+CH3COO]-	323.08489	199.7
[M+Na-2H]-	285.04571	157.9
[M]+	264.07049	150.8
[M]-	264.07159	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe