CID 19767930

1955524-05-6

Structural Information

Molecular Formula
C6H7F3N2S
SMILES
CC(C1=CN=C(S1)C(F)(F)F)N
InChI
InChI=1S/C6H7F3N2S/c1-3(10)4-2-11-5(12-4)6(7,8)9/h2-3H,10H2,1H3
InChIKey
ZCCASOYIKMELJV-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.0282 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.035476 134.4
[M+Na]+ 219.017418 143.7
[M-H]- 195.020924 133.1
[M+NH4]+ 214.062023 154.5
[M+K]+ 234.991358 141.0
[M+H-H2O]+ 179.025460 126.2
[M+HCOO]- 241.026401 148.7
[M+CH3COO]- 255.042051 182.9
[M+Na-2H]- 217.002866 135.0
[M]+ 196.02765142 130.7
[M]- 196.02874858 130.7
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