CID 43657610

4-(aminomethyl)-2-fluorophenol hydrobromide

Structural Information

Molecular Formula
C7H8FNO
SMILES
C1=CC(=C(C=C1CN)F)O
InChI
InChI=1S/C7H8FNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H,4,9H2
InChIKey
IYXYEJVZFHQIHQ-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-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 125.6
[M+Na]+ 164.04821 137.2
[M+NH4]+ 159.09281 133.7
[M+K]+ 180.02215 131.5
[M-H]- 140.05171 126.7
[M+Na-2H]- 162.03366 131.9
[M]+ 141.05844 127.3
[M]- 141.05954 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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