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

1
Patents

209.0423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04958 139.4
[M+Na]+ 232.03152 149.9
[M-H]- 208.03502 144.0
[M+NH4]+ 227.07612 158.8
[M+K]+ 248.00546 144.8
[M+H-H2O]+ 192.03956 131.8
[M+HCOO]- 254.04050 159.6
[M+CH3COO]- 268.05615 152.8
[M+Na-2H]- 230.01697 140.9
[M]+ 209.04175 137.3
[M]- 209.04285 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