CID 119031460

2,2-difluoro-2-{1h,4h,6h,7h-pyrano[4,3-c]pyrazol-3-yl}ethan-1-amine

Structural Information

Molecular Formula
C8H11F2N3O
SMILES
C1COCC2=C1NN=C2C(CN)(F)F
InChI
InChI=1S/C8H11F2N3O/c9-8(10,4-11)7-5-3-14-2-1-6(5)12-13-7/h1-4,11H2,(H,12,13)
InChIKey
LARDQFQAXOJJBH-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.08702 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09430 141.6
[M+Na]+ 226.07624 149.1
[M+NH4]+ 221.12084 147.4
[M+K]+ 242.05018 147.3
[M-H]- 202.07974 139.7
[M+Na-2H]- 224.06169 143.3
[M]+ 203.08647 141.6
[M]- 203.08757 141.6
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.