CID 146485324

2282704-43-0

Structural Information

Molecular Formula
C10H12F2N2O2
SMILES
CCOC(=O)C1=NNC2=C1CC(CC2)(F)F
InChI
InChI=1S/C10H12F2N2O2/c1-2-16-9(15)8-6-5-10(11,12)4-3-7(6)13-14-8/h2-5H2,1H3,(H,13,14)
InChIKey
WVLGLXHOPXTIMA-UHFFFAOYSA-N
Compound name
ethyl 5,5-difluoro-1,4,6,7-tetrahydroindazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

230.08669 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09397 147.5
[M+Na]+ 253.07591 156.3
[M-H]- 229.07941 145.5
[M+NH4]+ 248.12051 167.1
[M+K]+ 269.04985 153.1
[M+H-H2O]+ 213.08395 139.6
[M+HCOO]- 275.08489 162.9
[M+CH3COO]- 289.10054 185.8
[M+Na-2H]- 251.06136 150.7
[M]+ 230.08614 144.0
[M]- 230.08724 144.0
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

patents stripe