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)-2-pyridinyl]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]+ 253.035006 145.8
[M+Na]+ 275.016948 155.5
[M-H]- 251.020454 144.8
[M+NH4]+ 270.061553 154.6
[M+K]+ 290.990888 153.1
[M+H-H2O]+ 235.024990 131.9
[M+HCOO]- 297.025931 155.6
[M+CH3COO]- 311.041581 192.5
[M+Na-2H]- 273.002396 149.6
[M]+ 252.02718142 151.1
[M]- 252.02827858 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.