CID 19626212

2-fluoro-n-[(1h-pyrazol-3-yl)methyl]aniline

Structural Information

Molecular Formula
C10H10FN3
SMILES
C1=CC=C(C(=C1)NCC2=CC=NN2)F
InChI
InChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-7-8-5-6-13-14-8/h1-6,12H,7H2,(H,13,14)
InChIKey
IREDHAFKGFKXRR-UHFFFAOYSA-N
Compound name
2-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.08588 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.093156 137.5
[M+Na]+ 214.075098 145.6
[M-H]- 190.078604 139.2
[M+NH4]+ 209.119703 155.1
[M+K]+ 230.049038 141.1
[M+H-H2O]+ 174.083140 128.5
[M+HCOO]- 236.084081 160.0
[M+CH3COO]- 250.099731 149.9
[M+Na-2H]- 212.060546 144.0
[M]+ 191.08533142 133.8
[M]- 191.08642858 133.8
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.