CID 56773869

1335112-98-5

Structural Information

Molecular Formula
C12H16ClFN2O
SMILES
C1CNCCC1(CNC2=C(C=C(C=C2)Cl)F)O
InChI
InChI=1S/C12H16ClFN2O/c13-9-1-2-11(10(14)7-9)16-8-12(17)3-5-15-6-4-12/h1-2,7,15-17H,3-6,8H2
InChIKey
JJBLRCNVYLCYHR-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0935 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10078 154.7
[M+Na]+ 281.08272 165.8
[M+NH4]+ 276.12732 163.7
[M+K]+ 297.05666 157.0
[M-H]- 257.08622 156.6
[M+Na-2H]- 279.06817 162.2
[M]+ 258.09295 157.0
[M]- 258.09405 157.0
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.