CID 44607618

683221-07-0

Structural Information

Molecular Formula
C9H12FNO
SMILES
C1=CC(=CC(=C1)F)C(CCO)N
InChI
InChI=1S/C9H12FNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2
InChIKey
ZCLXAQLZFPYYQJ-UHFFFAOYSA-N
Compound name
3-amino-3-(3-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

169.09029 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09757 135.2
[M+Na]+ 192.07951 145.6
[M+NH4]+ 187.12411 142.9
[M+K]+ 208.05345 140.1
[M-H]- 168.08301 135.9
[M+Na-2H]- 190.06496 140.8
[M]+ 169.08974 136.6
[M]- 169.09084 136.6
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