CID 18071328

4-fluoro-5-(1h-pyrazol-1-yl)benzene-1,2-diamine

Structural Information

Molecular Formula
C9H9FN4
SMILES
C1=CN(N=C1)C2=C(C=C(C(=C2)N)N)F
InChI
InChI=1S/C9H9FN4/c10-6-4-7(11)8(12)5-9(6)14-3-1-2-13-14/h1-5H,11-12H2
InChIKey
IFTULUALGFHJKE-UHFFFAOYSA-N
Compound name
4-fluoro-5-pyrazol-1-ylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08113 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.088406 137.6
[M+Na]+ 215.070348 147.6
[M-H]- 191.073854 140.7
[M+NH4]+ 210.114953 155.6
[M+K]+ 231.044288 143.4
[M+H-H2O]+ 175.078390 128.8
[M+HCOO]- 237.079331 161.7
[M+CH3COO]- 251.094981 150.8
[M+Na-2H]- 213.055796 142.1
[M]+ 192.08058142 133.6
[M]- 192.08167858 133.6
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.