CID 162345374

Ns00133591

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
C[C@@](C1=CC=CC=C1)(C(=O)O)NCl
InChI
InChI=1S/C9H10ClNO2/c1-9(11-10,8(12)13)7-5-3-2-4-6-7/h2-6,11H,1H3,(H,12,13)/t9-/m1/s1
InChIKey
OORZCGNMBMETQJ-SECBINFHSA-N
Compound name
(2R)-2-(chloroamino)-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04001 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 140.0
[M+Na]+ 222.029228 147.3
[M-H]- 198.032734 142.3
[M+NH4]+ 217.073833 158.9
[M+K]+ 238.003168 143.7
[M+H-H2O]+ 182.037270 135.5
[M+HCOO]- 244.038211 157.6
[M+CH3COO]- 258.053861 181.7
[M+Na-2H]- 220.014676 147.0
[M]+ 199.03946142 140.3
[M]- 199.04055858 140.3
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.