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]+ 172.05237 133.5
[M+Na]+ 194.03431 142.5
[M-H]- 170.03781 135.9
[M+NH4]+ 189.07891 154.1
[M+K]+ 210.00825 138.5
[M+H-H2O]+ 154.04235 129.5
[M+HCOO]- 216.04329 152.0
[M+CH3COO]- 230.05894 178.9
[M+Na-2H]- 192.01976 137.9
[M]+ 171.04454 133.0
[M]- 171.04564 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