CID 11126491

1269773-22-9

Structural Information

Molecular Formula
C8H10FNO
SMILES
C1=CC=C(C(=C1)[C@@H](CO)N)F
InChI
InChI=1S/C8H10FNO/c9-7-4-2-1-3-6(7)8(10)5-11/h1-4,8,11H,5,10H2/t8-/m1/s1
InChIKey
SZOFSDXTFGOZLA-MRVPVSSYSA-N
Compound name
(2S)-2-amino-2-(2-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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

No literature data available for this compound.

Patent stripe

patents stripe