CID 53557430

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]azetidin-3-ol

Structural Information

Molecular Formula
C9H8ClF3N2O
SMILES
C1C(CN1C2=C(C=C(C=N2)C(F)(F)F)Cl)O
InChI
InChI=1S/C9H8ClF3N2O/c10-7-1-5(9(11,12)13)2-14-8(7)15-3-6(16)4-15/h1-2,6,16H,3-4H2
InChIKey
NKRNRHICOXFGNB-UHFFFAOYSA-N
Compound name
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02773 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03501 145.8
[M+Na]+ 275.01695 155.5
[M-H]- 251.02045 144.8
[M+NH4]+ 270.06155 154.6
[M+K]+ 290.99089 153.1
[M+H-H2O]+ 235.02499 131.9
[M+HCOO]- 297.02593 155.6
[M+CH3COO]- 311.04158 192.5
[M+Na-2H]- 273.00240 149.6
[M]+ 252.02718 151.1
[M]- 252.02828 151.1
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.