CID 137838652

[4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]methanamine

Structural Information

Molecular Formula
C6H7F3N2S
SMILES
C1=C(N=C(S1)CN)CC(F)(F)F
InChI
InChI=1S/C6H7F3N2S/c7-6(8,9)1-4-3-12-5(2-10)11-4/h3H,1-2,10H2
InChIKey
AROBZLXDOSDNAX-UHFFFAOYSA-N
Compound name
[4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03548 140.9
[M+Na]+ 219.01742 147.6
[M+NH4]+ 214.06202 146.7
[M+K]+ 234.99136 143.1
[M-H]- 195.02092 137.4
[M+Na-2H]- 217.00287 143.2
[M]+ 196.02765 140.8
[M]- 196.02875 140.8
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

No patent data available for this compound.