CID 100265

26107-82-4

Structural Information

Molecular Formula

C₉H₆F₆N₂O

SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NN

InChI

InChI=1S/C9H6F6N2O/c10-8(11,12)5-1-4(7(18)17-16)2-6(3-5)9(13,14)15/h1-3H,16H2,(H,17,18)

InChIKey

GBBRFBSFWKFTMZ-UHFFFAOYSA-N

Compound name

3,5-bis(trifluoromethyl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 272.03842 Da
Monoisotopic Mass: 2.2
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]+	273.04570	150.7
[M+Na]+	295.02764	159.6
[M-H]-	271.03114	146.7
[M+NH4]+	290.07224	166.2
[M+K]+	311.00158	155.9
[M+H-H2O]+	255.03568	140.1
[M+HCOO]-	317.03662	166.3
[M+CH3COO]-	331.05227	200.5
[M+Na-2H]-	293.01309	153.6
[M]+	272.03787	140.1
[M]-	272.03897	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe