CID 47003264

1240527-51-8

Structural Information

Molecular Formula
C11H12FN3
SMILES
C1=CC(=CC(=C1)F)N2C=CC(=N2)CCN
InChI
InChI=1S/C11H12FN3/c12-9-2-1-3-11(8-9)15-7-5-10(14-15)4-6-13/h1-3,5,7-8H,4,6,13H2
InChIKey
ILXGOZUTXPJJLC-UHFFFAOYSA-N
Compound name
2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.10153 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10881 142.6
[M+Na]+ 228.09075 151.6
[M-H]- 204.09425 145.4
[M+NH4]+ 223.13535 160.4
[M+K]+ 244.06469 147.4
[M+H-H2O]+ 188.09879 133.5
[M+HCOO]- 250.09973 165.6
[M+CH3COO]- 264.11538 187.4
[M+Na-2H]- 226.07620 147.2
[M]+ 205.10098 140.6
[M]- 205.10208 140.6
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.