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 130.2
[M+Na]+ 204.00652 139.7
[M-H]- 180.01002 130.1
[M+NH4]+ 199.05112 152.2
[M+K]+ 219.98046 136.6
[M+H-H2O]+ 164.01456 122.8
[M+HCOO]- 226.01550 146.7
[M+CH3COO]- 240.03115 179.4
[M+Na-2H]- 201.99197 131.9
[M]+ 181.01675 126.6
[M]- 181.01785 126.6
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.