CID 3908018

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

Structural Information

Molecular Formula
C5H5F3N2S
SMILES
C1=C(N=C(S1)CN)C(F)(F)F
InChI
InChI=1S/C5H5F3N2S/c6-5(7,8)3-2-11-4(1-9)10-3/h2H,1,9H2
InChIKey
PUPALALGCYBWGE-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

182.01256 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.01984 136.8
[M+Na]+ 205.00178 143.7
[M+NH4]+ 200.04638 142.8
[M+K]+ 220.97572 139.4
[M-H]- 181.00528 133.4
[M+Na-2H]- 202.98723 139.4
[M]+ 182.01201 136.8
[M]- 182.01311 136.8
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