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]+ 193.08841 137.6
[M+Na]+ 215.07035 147.6
[M-H]- 191.07385 140.7
[M+NH4]+ 210.11495 155.6
[M+K]+ 231.04429 143.4
[M+H-H2O]+ 175.07839 128.8
[M+HCOO]- 237.07933 161.7
[M+CH3COO]- 251.09498 150.8
[M+Na-2H]- 213.05580 142.1
[M]+ 192.08058 133.6
[M]- 192.08168 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.