CID 456246

119584-70-2

Structural Information

Molecular Formula
C8H7FN4
SMILES
C1=CC2=C(C(=C1)F)C(=NC(=N2)N)N
InChI
InChI=1S/C8H7FN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13)
InChIKey
ZFIDHZVBIBPRBQ-UHFFFAOYSA-N
Compound name
5-fluoroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

31
Patents

178.06548 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07276 134.4
[M+Na]+ 201.05470 145.1
[M-H]- 177.05820 135.0
[M+NH4]+ 196.09930 152.4
[M+K]+ 217.02864 140.8
[M+H-H2O]+ 161.06274 126.2
[M+HCOO]- 223.06368 156.4
[M+CH3COO]- 237.07933 147.3
[M+Na-2H]- 199.04015 142.5
[M]+ 178.06493 130.6
[M]- 178.06603 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe