CID 82413499

3-(trifluoromethyl)-1,2-thiazol-5-amine hydrochloride

Structural Information

Molecular Formula
C4H3F3N2S
SMILES
C1=C(SN=C1C(F)(F)F)N
InChI
InChI=1S/C4H3F3N2S/c5-4(6,7)2-1-3(8)10-9-2/h1H,8H2
InChIKey
ZCZHIQYIDNOURX-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-1,2-thiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

167.9969 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.00418 125.0
[M+Na]+ 190.98612 135.5
[M-H]- 166.98962 123.9
[M+NH4]+ 186.03072 146.3
[M+K]+ 206.96006 132.8
[M+H-H2O]+ 150.99416 117.1
[M+HCOO]- 212.99510 141.0
[M+CH3COO]- 227.01075 176.0
[M+Na-2H]- 188.97157 127.6
[M]+ 167.99635 121.2
[M]- 167.99745 121.2
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