CID 138040804

2247106-89-2

Structural Information

Molecular Formula

C₇H₆F₂N₂O₂

SMILES

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

InChI

InChI=1S/C7H6F2N2O2/c8-7(9)2-4-1-5(6(12)13)10-11(4)3-7/h1H,2-3H2,(H,12,13)

InChIKey

UBTWQGPWURKTRC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 188.03973 Da
Monoisotopic Mass: 0.8
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	133.1
[M+Na]+	211.02895	143.9
[M-H]-	187.03245	132.0
[M+NH4]+	206.07355	156.1
[M+K]+	227.00289	141.5
[M+H-H2O]+	171.03699	126.3
[M+HCOO]-	233.03793	151.7
[M+CH3COO]-	247.05358	177.6
[M+Na-2H]-	209.01440	136.5
[M]+	188.03918	130.8
[M]-	188.04028	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe