CID 101880615

6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C5H8FN5
SMILES
CC(C1=NC(=NC(=N1)N)N)F
InChI
InChI=1S/C5H8FN5/c1-2(6)3-9-4(7)11-5(8)10-3/h2H,1H3,(H4,7,8,9,10,11)
InChIKey
SAVPFAWCTFJSAF-UHFFFAOYSA-N
Compound name
6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

157.07637 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08365 131.6
[M+Na]+ 180.06559 140.9
[M-H]- 156.06909 129.8
[M+NH4]+ 175.11019 147.8
[M+K]+ 196.03953 138.5
[M+H-H2O]+ 140.07363 122.9
[M+HCOO]- 202.07457 152.3
[M+CH3COO]- 216.09022 181.9
[M+Na-2H]- 178.05104 137.4
[M]+ 157.07582 127.2
[M]- 157.07692 127.2
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