CID 17745

3-fluoro-alpha-(methylaminomethyl)benzyl alcohol hydrobromide

Structural Information

Molecular Formula
C9H12FNO
SMILES
CNCC(C1=CC(=CC=C1)F)O
InChI
InChI=1S/C9H12FNO/c1-11-6-9(12)7-3-2-4-8(10)5-7/h2-5,9,11-12H,6H2,1H3
InChIKey
UAFKHMNFUKZFRS-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-2-(methylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

169.09029 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09757 134.4
[M+Na]+ 192.07951 141.2
[M-H]- 168.08301 135.5
[M+NH4]+ 187.12411 154.0
[M+K]+ 208.05345 138.9
[M+H-H2O]+ 152.08755 127.9
[M+HCOO]- 214.08849 156.7
[M+CH3COO]- 228.10414 180.2
[M+Na-2H]- 190.06496 139.9
[M]+ 169.08974 131.7
[M]- 169.09084 131.7
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