CID 3037166

Einecs 226-181-8

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
5
Annotation Hits

12
References

319
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 132.8
[M+Na]+ 192.01865 140.4
[M-H]- 168.02215 135.9
[M+NH4]+ 187.06325 153.3
[M+K]+ 207.99259 137.0
[M+H-H2O]+ 152.02669 128.1
[M+HCOO]- 214.02763 152.0
[M+CH3COO]- 228.04328 179.1
[M+Na-2H]- 190.00410 137.8
[M]+ 169.02888 132.1
[M]- 169.02998 132.1
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