CID 7017117

1147198-88-6

Structural Information

Molecular Formula
C10H9ClFN3
SMILES
C1=CC(=C(C(=C1)Cl)CN2C=C(C=N2)N)F
InChI
InChI=1S/C10H9ClFN3/c11-9-2-1-3-10(12)8(9)6-15-5-7(13)4-14-15/h1-5H,6,13H2
InChIKey
HYJAGOFBRGJEHP-UHFFFAOYSA-N
Compound name
1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0469 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05418 145.4
[M+Na]+ 248.03612 156.4
[M-H]- 224.03962 148.3
[M+NH4]+ 243.08072 163.4
[M+K]+ 264.01006 150.6
[M+H-H2O]+ 208.04416 136.9
[M+HCOO]- 270.04510 163.9
[M+CH3COO]- 284.06075 158.3
[M+Na-2H]- 246.02157 149.1
[M]+ 225.04635 145.2
[M]- 225.04745 145.2
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.