CID 78933019

1228571-53-6

Structural Information

Molecular Formula
C8H10ClNO
SMILES
C[C@H](C1=C(C=CC(=C1)Cl)O)N
InChI
InChI=1S/C8H10ClNO/c1-5(10)7-4-6(9)2-3-8(7)11/h2-5,11H,10H2,1H3/t5-/m1/s1
InChIKey
IHDFZQZUBQSKDM-RXMQYKEDSA-N
Compound name
2-[(1R)-1-aminoethyl]-4-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.04509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.052366 133.5
[M+Na]+ 194.034308 142.5
[M-H]- 170.037814 135.9
[M+NH4]+ 189.078913 154.1
[M+K]+ 210.008248 138.5
[M+H-H2O]+ 154.042350 129.5
[M+HCOO]- 216.043291 152.0
[M+CH3COO]- 230.058941 178.9
[M+Na-2H]- 192.019756 137.9
[M]+ 171.04454142 133.0
[M]- 171.04563858 133.0
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

patents stripe