CID 13626944

87949-12-0

Structural Information

Molecular Formula
C9H8FN3
SMILES
C1=CC(=CC=C1N2C=CC(=N2)N)F
InChI
InChI=1S/C9H8FN3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12-13/h1-6H,(H2,11,12)
InChIKey
ZLDCOALWOXLJQZ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

177.07022 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07750 133.5
[M+Na]+ 200.05944 143.4
[M-H]- 176.06294 136.6
[M+NH4]+ 195.10404 152.4
[M+K]+ 216.03338 139.6
[M+H-H2O]+ 160.06748 124.7
[M+HCOO]- 222.06842 157.1
[M+CH3COO]- 236.08407 147.1
[M+Na-2H]- 198.04489 139.2
[M]+ 177.06967 130.7
[M]- 177.07077 130.7
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

patents stripe