CID 3039483

2,4-diamino-5-(p-fluorophenyl)thiazole hydrochloride

Structural Information

Molecular Formula
C9H8FN3S
SMILES
C1=CC(=CC=C1C2=C(N=C(S2)N)N)F
InChI
InChI=1S/C9H8FN3S/c10-6-3-1-5(2-4-6)7-8(11)13-9(12)14-7/h1-4H,11H2,(H2,12,13)
InChIKey
VZQANTOGFHIWOG-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1,3-thiazole-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.0423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.049576 139.4
[M+Na]+ 232.031518 149.9
[M-H]- 208.035024 144.0
[M+NH4]+ 227.076123 158.8
[M+K]+ 248.005458 144.8
[M+H-H2O]+ 192.039560 131.8
[M+HCOO]- 254.040501 159.6
[M+CH3COO]- 268.056151 152.8
[M+Na-2H]- 230.016966 140.9
[M]+ 209.04175142 137.3
[M]- 209.04284858 137.3
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