CID 79709673

3-amino-2-[(3-bromo-5-fluorophenyl)methyl]propan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H13BrFNO
SMILES
C1=C(C=C(C=C1F)Br)CC(CN)CO
InChI
InChI=1S/C10H13BrFNO/c11-9-2-7(3-10(12)4-9)1-8(5-13)6-14/h2-4,8,14H,1,5-6,13H2
InChIKey
GFBQXGJHHNWFEB-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.01645 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02373 152.1
[M+Na]+ 284.00567 162.2
[M-H]- 260.00917 155.2
[M+NH4]+ 279.05027 171.4
[M+K]+ 299.97961 149.8
[M+H-H2O]+ 244.01371 150.5
[M+HCOO]- 306.01465 170.7
[M+CH3COO]- 320.03030 193.6
[M+Na-2H]- 281.99112 155.8
[M]+ 261.01590 167.5
[M]- 261.01700 167.5
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.