CID 139026400

2361634-57-1

Structural Information

Molecular Formula

C₇H₆F₂N₂O₂

SMILES

C1C2=C(C=NN2CC1(F)F)C(=O)O

InChI

InChI=1S/C7H6F2N2O2/c8-7(9)1-5-4(6(12)13)2-10-11(5)3-7/h2H,1,3H2,(H,12,13)

InChIKey

NNYXSBYYHKZVHW-UHFFFAOYSA-N

Compound name

5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.03973 Da
Monoisotopic Mass: 0.4
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]+	189.047006	133.1
[M+Na]+	211.028948	143.9
[M-H]-	187.032454	132.0
[M+NH4]+	206.073553	156.1
[M+K]+	227.002888	141.5
[M+H-H2O]+	171.036990	126.3
[M+HCOO]-	233.037931	151.7
[M+CH3COO]-	247.053581	177.6
[M+Na-2H]-	209.014396	136.5
[M]+	188.03918142	130.8
[M]-	188.04027858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.