CID 55279040

1955548-94-3

Structural Information

Molecular Formula

C₇H₆F₂N₂O₂

SMILES

C1=CC(=C2C(=C1)OC(O2)(F)F)NN

InChI

InChI=1S/C7H6F2N2O2/c8-7(9)12-5-3-1-2-4(11-10)6(5)13-7/h1-3,11H,10H2

InChIKey

XURBLZHFBJCQSM-UHFFFAOYSA-N

Compound name

(2,2-difluoro-1,3-benzodioxol-4-yl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 188.03973 Da
Monoisotopic Mass: 1.7
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]+	189.04701	131.5
[M+Na]+	211.02895	141.4
[M-H]-	187.03245	135.0
[M+NH4]+	206.07355	152.7
[M+K]+	227.00289	141.0
[M+H-H2O]+	171.03699	125.0
[M+HCOO]-	233.03793	153.7
[M+CH3COO]-	247.05358	183.7
[M+Na-2H]-	209.01440	140.6
[M]+	188.03918	129.4
[M]-	188.04028	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe