CID 120585

Py-91

Structural Information

Molecular Formula
C10H10FN7
SMILES
C1=CC(=CC(=C1)F)N=NC2=C(N=C(N=C2N)N)N
InChI
InChI=1S/C10H10FN7/c11-5-2-1-3-6(4-5)17-18-7-8(12)15-10(14)16-9(7)13/h1-4H,(H6,12,13,14,15,16)
InChIKey
GFTHBDGYNKEGQI-UHFFFAOYSA-N
Compound name
5-[(3-fluorophenyl)diazenyl]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09818 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10546 152.2
[M+Na]+ 270.08740 161.6
[M-H]- 246.09090 157.7
[M+NH4]+ 265.13200 166.4
[M+K]+ 286.06134 157.7
[M+H-H2O]+ 230.09544 141.5
[M+HCOO]- 292.09638 180.6
[M+CH3COO]- 306.11203 210.0
[M+Na-2H]- 268.07285 159.2
[M]+ 247.09763 148.1
[M]- 247.09873 148.1
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.