CID 130531736

2173999-10-3

Structural Information

Molecular Formula
C6H6F3NS
SMILES
C1=C(C(=CS1)C(F)(F)F)CN
InChI
InChI=1S/C6H6F3NS/c7-6(8,9)5-3-11-2-4(5)1-10/h2-3H,1,10H2
InChIKey
MYWQNQVKNYMWSK-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)thiophen-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0173 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02458 138.5
[M+Na]+ 204.00652 145.5
[M+NH4]+ 199.05112 145.1
[M+K]+ 219.98046 140.6
[M-H]- 180.01002 135.8
[M+Na-2H]- 201.99197 141.2
[M]+ 181.01675 138.8
[M]- 181.01785 138.8
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.