CID 47003052

4-(4-fluorophenyl)-1,3-thiazol-5-amine hydrochloride

Structural Information

Molecular Formula
C9H7FN2S
SMILES
C1=CC(=CC=C1C2=C(SC=N2)N)F
InChI
InChI=1S/C9H7FN2S/c10-7-3-1-6(2-4-7)8-9(11)13-5-12-8/h1-5H,11H2
InChIKey
UFSGAXJZAHDSGD-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-1,3-thiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.0314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.038676 135.6
[M+Na]+ 217.020618 146.3
[M-H]- 193.024124 140.5
[M+NH4]+ 212.065223 156.1
[M+K]+ 232.994558 141.8
[M+H-H2O]+ 177.028660 128.3
[M+HCOO]- 239.029601 155.6
[M+CH3COO]- 253.045251 149.6
[M+Na-2H]- 215.006066 138.1
[M]+ 194.03085142 134.8
[M]- 194.03194858 134.8
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