CID 165759453

[4-(2-aminoethyl)-2-fluorophenyl]methanol

Structural Information

Molecular Formula
C9H12FNO
SMILES
C1=CC(=C(C=C1CCN)F)CO
InChI
InChI=1S/C9H12FNO/c10-9-5-7(3-4-11)1-2-8(9)6-12/h1-2,5,12H,3-4,6,11H2
InChIKey
VLZLFMQKSBPNMZ-UHFFFAOYSA-N
Compound name
[4-(2-aminoethyl)-2-fluorophenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09029 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09757 134.2
[M+Na]+ 192.07951 142.2
[M-H]- 168.08301 135.0
[M+NH4]+ 187.12411 153.9
[M+K]+ 208.05345 139.0
[M+H-H2O]+ 152.08755 127.8
[M+HCOO]- 214.08849 156.8
[M+CH3COO]- 228.10414 179.9
[M+Na-2H]- 190.06496 139.1
[M]+ 169.08974 131.5
[M]- 169.09084 131.5
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.