CID 68309242

3-(aminomethyl)-5-fluorophenol hydrochloride

Structural Information

Molecular Formula
C7H8FNO
SMILES
C1=C(C=C(C=C1O)F)CN
InChI
InChI=1S/C7H8FNO/c8-6-1-5(4-9)2-7(10)3-6/h1-3,10H,4,9H2
InChIKey
AFFFKKLRUDIUNT-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-5-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

141.05899 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06627 124.9
[M+Na]+ 164.04821 133.8
[M-H]- 140.05171 126.1
[M+NH4]+ 159.09281 145.7
[M+K]+ 180.02215 131.1
[M+H-H2O]+ 124.05625 119.0
[M+HCOO]- 186.05719 148.2
[M+CH3COO]- 200.07284 173.8
[M+Na-2H]- 162.03366 130.9
[M]+ 141.05844 121.5
[M]- 141.05954 121.5
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

No patent data available for this compound.