CID 57368767

2-chloro-6-(2-hydroxyethylsulfanyl)-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C8H7ClF3NOS
SMILES
C1=C(C=C(N=C1SCCO)Cl)C(F)(F)F
InChI
InChI=1S/C8H7ClF3NOS/c9-6-3-5(8(10,11)12)4-7(13-6)15-2-1-14/h3-4,14H,1-2H2
InChIKey
CSRPBKXLJKSMBT-UHFFFAOYSA-N
Compound name
2-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9889 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99618 144.4
[M+Na]+ 279.97812 154.8
[M-H]- 255.98162 142.0
[M+NH4]+ 275.02272 161.2
[M+K]+ 295.95206 149.0
[M+H-H2O]+ 239.98616 136.9
[M+HCOO]- 301.98710 152.2
[M+CH3COO]- 316.00275 188.1
[M+Na-2H]- 277.96357 146.6
[M]+ 256.98835 144.7
[M]- 256.98945 144.7
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.