CID 13209

S-triazine, 2,4-diamino-6-fluoro-

Structural Information

Molecular Formula
C3H4FN5
SMILES
C1(=NC(=NC(=N1)F)N)N
InChI
InChI=1S/C3H4FN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
InChIKey
YOKNHTLXSZVZKR-UHFFFAOYSA-N
Compound name
6-fluoro-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

129.04507 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.05235 122.1
[M+Na]+ 152.03429 132.5
[M-H]- 128.03779 120.5
[M+NH4]+ 147.07889 139.5
[M+K]+ 168.00823 130.1
[M+H-H2O]+ 112.04233 113.7
[M+HCOO]- 174.04327 144.4
[M+CH3COO]- 188.05892 174.9
[M+Na-2H]- 150.01974 130.1
[M]+ 129.04452 117.6
[M]- 129.04562 117.6
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

patents stripe