CID 17788247

3-amino-1-(4-fluorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H12FNO
SMILES
C1=CC(=CC=C1C(CCN)O)F
InChI
InChI=1S/C9H12FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5-6,11H2
InChIKey
KYWHMJZDJKWPJT-UHFFFAOYSA-N
Compound name
3-amino-1-(4-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

169.09029 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.097566 135.0
[M+Na]+ 192.079508 141.8
[M-H]- 168.083014 135.5
[M+NH4]+ 187.124113 154.3
[M+K]+ 208.053448 139.1
[M+H-H2O]+ 152.087550 128.5
[M+HCOO]- 214.088491 156.6
[M+CH3COO]- 228.104141 179.6
[M+Na-2H]- 190.064956 139.3
[M]+ 169.08974142 131.3
[M]- 169.09083858 131.3
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