CID 121521903

1421270-62-3

Structural Information

Molecular Formula
C6H7F2N3O
SMILES
C1C2=C(C(CN1)(F)F)NNC2=O
InChI
InChI=1S/C6H7F2N3O/c7-6(8)2-9-1-3-4(6)10-11-5(3)12/h9H,1-2H2,(H2,10,11,12)
InChIKey
GJZLIWKLESAEMV-UHFFFAOYSA-N
Compound name
7,7-difluoro-2,4,5,6-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.05573 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06301 132.5
[M+Na]+ 198.04495 142.6
[M-H]- 174.04845 126.9
[M+NH4]+ 193.08955 151.6
[M+K]+ 214.01889 137.4
[M+H-H2O]+ 158.05299 124.8
[M+HCOO]- 220.05393 145.7
[M+CH3COO]- 234.06958 143.6
[M+Na-2H]- 196.03040 137.8
[M]+ 175.05518 123.8
[M]- 175.05628 123.8
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.