CID 22021067

2-amino-1-(3-bromophenyl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C8H10BrNO
SMILES
C1=CC(=CC(=C1)Br)C(CN)O
InChI
InChI=1S/C8H10BrNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2
InChIKey
MKDZOLCWDXTLIF-UHFFFAOYSA-N
Compound name
2-amino-1-(3-bromophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

214.99458 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.001856 139.5
[M+Na]+ 237.983798 149.6
[M-H]- 213.987304 144.0
[M+NH4]+ 233.028403 160.4
[M+K]+ 253.957738 138.1
[M+H-H2O]+ 197.991840 139.2
[M+HCOO]- 259.992781 159.8
[M+CH3COO]- 274.008431 184.3
[M+Na-2H]- 235.969246 145.7
[M]+ 214.99403142 155.1
[M]- 214.99512858 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe