CID 48900

3-fluoro-alpha-isopropylaminomethylbenzyl alcohol hydrobromide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

197.1216 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12888 144.2
[M+Na]+ 220.11082 149.9
[M-H]- 196.11432 145.0
[M+NH4]+ 215.15542 162.6
[M+K]+ 236.08476 147.6
[M+H-H2O]+ 180.11886 137.4
[M+HCOO]- 242.11980 164.8
[M+CH3COO]- 256.13545 187.2
[M+Na-2H]- 218.09627 147.3
[M]+ 197.12105 141.6
[M]- 197.12215 141.6
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