CID 66175652

3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}propane-1,2-diol

Structural Information

Molecular Formula
C9H10ClF3N2O2
SMILES
C1=C(C=NC(=C1Cl)NCC(CO)O)C(F)(F)F
InChI
InChI=1S/C9H10ClF3N2O2/c10-7-1-5(9(11,12)13)2-14-8(7)15-3-6(17)4-16/h1-2,6,16-17H,3-4H2,(H,14,15)
InChIKey
FFLKJPMJZVVNRR-UHFFFAOYSA-N
Compound name
3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0383 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04558 151.4
[M+Na]+ 293.02752 159.9
[M-H]- 269.03102 147.4
[M+NH4]+ 288.07212 166.0
[M+K]+ 309.00146 154.8
[M+H-H2O]+ 253.03556 143.6
[M+HCOO]- 315.03650 162.9
[M+CH3COO]- 329.05215 192.7
[M+Na-2H]- 291.01297 155.0
[M]+ 270.03775 148.3
[M]- 270.03885 148.3
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.