CID 119031437

2-(trifluoromethyl)pyridine-4-carbothioamide

Structural Information

Molecular Formula
C7H5F3N2S
SMILES
C1=CN=C(C=C1C(=S)N)C(F)(F)F
InChI
InChI=1S/C7H5F3N2S/c8-7(9,10)5-3-4(6(11)13)1-2-12-5/h1-3H,(H2,11,13)
InChIKey
RSEKKUYNUNVMGU-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.01256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01984 136.1
[M+Na]+ 229.00178 145.2
[M-H]- 205.00528 134.5
[M+NH4]+ 224.04638 153.8
[M+K]+ 244.97572 141.1
[M+H-H2O]+ 189.00982 127.5
[M+HCOO]- 251.01076 149.5
[M+CH3COO]- 265.02641 184.8
[M+Na-2H]- 226.98723 138.5
[M]+ 206.01201 131.2
[M]- 206.01311 131.2
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.