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

12
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 135.0
[M+Na]+ 192.07951 141.8
[M-H]- 168.08301 135.5
[M+NH4]+ 187.12411 154.3
[M+K]+ 208.05345 139.1
[M+H-H2O]+ 152.08755 128.5
[M+HCOO]- 214.08849 156.6
[M+CH3COO]- 228.10414 179.6
[M+Na-2H]- 190.06496 139.3
[M]+ 169.08974 131.3
[M]- 169.09084 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