CID 119031269

2-{1h,4h,5h,6h-cyclopenta[c]pyrazol-3-yl}-2,2-difluoroethan-1-amine

Structural Information

Molecular Formula
C8H11F2N3
SMILES
C1CC2=C(C1)NN=C2C(CN)(F)F
InChI
InChI=1S/C8H11F2N3/c9-8(10,4-11)7-5-2-1-3-6(5)12-13-7/h1-4,11H2,(H,12,13)
InChIKey
VQDRARPQSWQSGE-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.0921 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09938 137.5
[M+Na]+ 210.08132 145.6
[M-H]- 186.08482 135.2
[M+NH4]+ 205.12592 158.0
[M+K]+ 226.05526 142.2
[M+H-H2O]+ 170.08936 129.7
[M+HCOO]- 232.09030 155.0
[M+CH3COO]- 246.10595 180.3
[M+Na-2H]- 208.06677 141.2
[M]+ 187.09155 131.1
[M]- 187.09265 131.1
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.