CID 130806195

2-(2-amino-3-hydroxypropyl)-6-bromo-4-chlorophenol

Structural Information

Molecular Formula
C9H11BrClNO2
SMILES
C1=C(C=C(C(=C1CC(CO)N)O)Br)Cl
InChI
InChI=1S/C9H11BrClNO2/c10-8-3-6(11)1-5(9(8)14)2-7(12)4-13/h1,3,7,13-14H,2,4,12H2
InChIKey
FVYKRQYXLKMJRL-UHFFFAOYSA-N
Compound name
2-(2-amino-3-hydroxypropyl)-6-bromo-4-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.96616 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.97344 151.2
[M+Na]+ 301.95538 162.9
[M-H]- 277.95888 154.7
[M+NH4]+ 296.99998 170.3
[M+K]+ 317.92932 148.9
[M+H-H2O]+ 261.96342 151.8
[M+HCOO]- 323.96436 165.5
[M+CH3COO]- 337.98001 192.6
[M+Na-2H]- 299.94083 154.7
[M]+ 278.96561 169.2
[M]- 278.96671 169.2
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.