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]+ 197.03548 134.4
[M+Na]+ 219.01742 143.7
[M-H]- 195.02092 133.1
[M+NH4]+ 214.06202 154.5
[M+K]+ 234.99136 141.0
[M+H-H2O]+ 179.02546 126.2
[M+HCOO]- 241.02640 148.7
[M+CH3COO]- 255.04205 182.9
[M+Na-2H]- 217.00287 135.0
[M]+ 196.02765 130.7
[M]- 196.02875 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