CID 43085235

2-{[(5-bromo-2-fluorophenyl)methyl]amino}ethan-1-ol

Structural Information

Molecular Formula
C9H11BrFNO
SMILES
C1=CC(=C(C=C1Br)CNCCO)F
InChI
InChI=1S/C9H11BrFNO/c10-8-1-2-9(11)7(5-8)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2
InChIKey
NFRVFGLGQNTTLB-UHFFFAOYSA-N
Compound name
2-[(5-bromo-2-fluorophenyl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.0008 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00808 145.6
[M+Na]+ 269.99002 156.4
[M-H]- 245.99352 149.3
[M+NH4]+ 265.03462 165.8
[M+K]+ 285.96396 144.2
[M+H-H2O]+ 229.99806 144.3
[M+HCOO]- 291.99900 166.1
[M+CH3COO]- 306.01465 190.5
[M+Na-2H]- 267.97547 152.2
[M]+ 247.00025 162.4
[M]- 247.00135 162.4
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.