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 140.8
[M+Na]+ 226.07624 148.2
[M-H]- 202.07974 138.5
[M+NH4]+ 221.12084 157.4
[M+K]+ 242.05018 145.7
[M+H-H2O]+ 186.08428 132.5
[M+HCOO]- 248.08522 155.3
[M+CH3COO]- 262.10087 182.4
[M+Na-2H]- 224.06169 146.7
[M]+ 203.08647 134.2
[M]- 203.08757 134.2
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.