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]+ 206.108806 142.6
[M+Na]+ 228.090748 151.6
[M-H]- 204.094254 145.4
[M+NH4]+ 223.135353 160.4
[M+K]+ 244.064688 147.4
[M+H-H2O]+ 188.098790 133.5
[M+HCOO]- 250.099731 165.6
[M+CH3COO]- 264.115381 187.4
[M+Na-2H]- 226.076196 147.2
[M]+ 205.10098142 140.6
[M]- 205.10207858 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.