CID 21943407

451-45-6

Structural Information

Molecular Formula
C9H12FNO
SMILES
CNCC(C1=CC=C(C=C1)F)O
InChI
InChI=1S/C9H12FNO/c1-11-6-9(12)7-2-4-8(10)5-3-7/h2-5,9,11-12H,6H2,1H3
InChIKey
IOZLGDJGPLSIHZ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-(methylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

169.09029 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.097566 134.4
[M+Na]+ 192.079508 141.2
[M-H]- 168.083014 135.5
[M+NH4]+ 187.124113 154.0
[M+K]+ 208.053448 138.9
[M+H-H2O]+ 152.087550 127.9
[M+HCOO]- 214.088491 156.7
[M+CH3COO]- 228.104141 180.2
[M+Na-2H]- 190.064956 139.9
[M]+ 169.08974142 131.7
[M]- 169.09083858 131.7
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