CID 105454102

1780733-00-7

Structural Information

Molecular Formula
C8H8F2N2O2
SMILES
C1CC(CC2=C1NN=C2C(=O)O)(F)F
InChI
InChI=1S/C8H8F2N2O2/c9-8(10)2-1-5-4(3-8)6(7(13)14)12-11-5/h1-3H2,(H,11,12)(H,13,14)
InChIKey
HKGQLZGBHCVQQO-UHFFFAOYSA-N
Compound name
5,5-difluoro-1,4,6,7-tetrahydroindazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.05539 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06267 138.8
[M+Na]+ 225.04461 148.0
[M-H]- 201.04811 135.7
[M+NH4]+ 220.08921 158.8
[M+K]+ 241.01855 144.3
[M+H-H2O]+ 185.05265 131.5
[M+HCOO]- 247.05359 153.4
[M+CH3COO]- 261.06924 178.0
[M+Na-2H]- 223.03006 142.6
[M]+ 202.05484 132.8
[M]- 202.05594 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.