CID 24259063

2-(2-chloro-6-fluorophenyl)-2-(piperidin-1-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C13H15ClFNO2
SMILES
C1CCN(CC1)C(C2=C(C=CC=C2Cl)F)C(=O)O
InChI
InChI=1S/C13H15ClFNO2/c14-9-5-4-6-10(15)11(9)12(13(17)18)16-7-2-1-3-8-16/h4-6,12H,1-3,7-8H2,(H,17,18)
InChIKey
WGGYCJGRWJEFFU-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.07755 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08483 157.6
[M+Na]+ 294.06677 163.5
[M-H]- 270.07027 159.4
[M+NH4]+ 289.11137 172.3
[M+K]+ 310.04071 158.6
[M+H-H2O]+ 254.07481 149.9
[M+HCOO]- 316.07575 168.2
[M+CH3COO]- 330.09140 193.8
[M+Na-2H]- 292.05222 158.0
[M]+ 271.07700 153.5
[M]- 271.07810 153.5
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.