CID 53408254

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

Structural Information

Molecular Formula
C10H10ClF3N2O
SMILES
C1CN(CC1O)C2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C10H10ClF3N2O/c11-8-3-6(10(12,13)14)4-15-9(8)16-2-1-7(17)5-16/h3-4,7,17H,1-2,5H2
InChIKey
LCTHUZSMYUAYEC-UHFFFAOYSA-N
Compound name
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.04337 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05065 152.9
[M+Na]+ 289.03259 162.7
[M-H]- 265.03609 151.9
[M+NH4]+ 284.07719 169.0
[M+K]+ 305.00653 157.1
[M+H-H2O]+ 249.04063 143.6
[M+HCOO]- 311.04157 163.1
[M+CH3COO]- 325.05722 190.5
[M+Na-2H]- 287.01804 154.4
[M]+ 266.04282 148.2
[M]- 266.04392 148.2
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.