CID 2736757

175137-25-4

Structural Information

Molecular Formula
C10H9FN4
SMILES
C1=CC(=CC=C1C2=CC(=NC(=N2)N)N)F
InChI
InChI=1S/C10H9FN4/c11-7-3-1-6(2-4-7)8-5-9(12)15-10(13)14-8/h1-5H,(H4,12,13,14,15)
InChIKey
UJHDGCSPZQBXEB-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

204.08113 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08841 142.7
[M+Na]+ 227.07035 152.5
[M-H]- 203.07385 145.5
[M+NH4]+ 222.11495 158.3
[M+K]+ 243.04429 147.6
[M+H-H2O]+ 187.07839 133.4
[M+HCOO]- 249.07933 165.6
[M+CH3COO]- 263.09498 155.1
[M+Na-2H]- 225.05580 149.1
[M]+ 204.08058 138.2
[M]- 204.08168 138.2
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

patents stripe