CID 126782207

(2s)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol

Structural Information

Molecular Formula
C8H10ClFN2O
SMILES
C[C@@H](CO)NC1=C(C=C(C=N1)Cl)F
InChI
InChI=1S/C8H10ClFN2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKey
FDEYPUQCROENJQ-YFKPBYRVSA-N
Compound name
(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.04657 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05385 139.2
[M+Na]+ 227.03579 148.2
[M-H]- 203.03929 139.1
[M+NH4]+ 222.08039 157.2
[M+K]+ 243.00973 144.0
[M+H-H2O]+ 187.04383 132.9
[M+HCOO]- 249.04477 156.0
[M+CH3COO]- 263.06042 184.8
[M+Na-2H]- 225.02124 144.2
[M]+ 204.04602 139.1
[M]- 204.04712 139.1
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.