CID 3037166

(2-chloro-2-oxo-1-phenylethyl)ammonium chloride

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C1=CC=C(C=C1)[C@H](C(=O)Cl)N
InChI
InChI=1S/C8H8ClNO/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7H,10H2/t7-/m1/s1
InChIKey
MEAZEHJUPLREOQ-SSDOTTSWSA-N
Compound name
(2R)-2-amino-2-phenylacetyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

315
Patents

169.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 132.5
[M+Na]+ 192.01865 144.8
[M+NH4]+ 187.06325 141.4
[M+K]+ 207.99259 138.8
[M-H]- 168.02215 134.9
[M+Na-2H]- 190.00410 139.6
[M]+ 169.02888 135.1
[M]- 169.02998 135.1
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

patents stripe