CID 35800

2-amino-1-(3-fluorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H10FNO
SMILES
C1=CC(=CC(=C1)F)C(CN)O
InChI
InChI=1S/C8H10FNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2
InChIKey
KLIPUNKCUPNMHM-UHFFFAOYSA-N
Compound name
2-amino-1-(3-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

156
Patents

155.07465 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.081926 130.3
[M+Na]+ 178.063868 137.6
[M-H]- 154.067374 131.1
[M+NH4]+ 173.108473 150.2
[M+K]+ 194.037808 135.1
[M+H-H2O]+ 138.071910 124.0
[M+HCOO]- 200.072851 152.3
[M+CH3COO]- 214.088501 176.5
[M+Na-2H]- 176.049316 135.2
[M]+ 155.07410142 126.2
[M]- 155.07519858 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe