CID 48902

3-fluoro-alpha-(propylaminomethyl)benzyl alcohol hydrobromide

Structural Information

Molecular Formula
C11H16FNO
SMILES
CCCNCC(C1=CC(=CC=C1)F)O
InChI
InChI=1S/C11H16FNO/c1-2-6-13-8-11(14)9-4-3-5-10(12)7-9/h3-5,7,11,13-14H,2,6,8H2,1H3
InChIKey
BYCNIJBLOLPNCZ-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-2-(propylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.1216 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12888 143.7
[M+Na]+ 220.11082 149.7
[M-H]- 196.11432 144.4
[M+NH4]+ 215.15542 162.2
[M+K]+ 236.08476 146.8
[M+H-H2O]+ 180.11886 136.8
[M+HCOO]- 242.11980 165.3
[M+CH3COO]- 256.13545 186.3
[M+Na-2H]- 218.09627 148.1
[M]+ 197.12105 141.7
[M]- 197.12215 141.7
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