CID 22281768

537033-60-6

Structural Information

Molecular Formula
C8H4F3NS
SMILES
C1=CC(=NC2=C1SC=C2)C(F)(F)F
InChI
InChI=1S/C8H4F3NS/c9-8(10,11)7-2-1-6-5(12-7)3-4-13-6/h1-4H
InChIKey
VHIPXYTUUONNMD-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)thieno[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.00165 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.00893 133.6
[M+Na]+ 225.99087 146.2
[M-H]- 201.99437 134.3
[M+NH4]+ 221.03547 155.5
[M+K]+ 241.96481 142.1
[M+H-H2O]+ 185.99891 126.0
[M+HCOO]- 247.99985 149.7
[M+CH3COO]- 262.01550 181.1
[M+Na-2H]- 223.97632 138.9
[M]+ 203.00110 133.8
[M]- 203.00220 133.8
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