CID 193292

4-(2-aminoethyl)-2-fluorophenol hydrobromide

Structural Information

Molecular Formula
C8H10FNO
SMILES
C1=CC(=C(C=C1CCN)F)O
InChI
InChI=1S/C8H10FNO/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5,11H,3-4,10H2
InChIKey
MBQWGRWJFUWYAA-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-2-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

42
Patents

155.07465 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08193 129.5
[M+Na]+ 178.06387 138.0
[M-H]- 154.06737 130.6
[M+NH4]+ 173.10847 149.8
[M+K]+ 194.03781 135.1
[M+H-H2O]+ 138.07191 123.4
[M+HCOO]- 200.07285 152.5
[M+CH3COO]- 214.08850 176.8
[M+Na-2H]- 176.04932 135.0
[M]+ 155.07410 126.5
[M]- 155.07520 126.5
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

patents stripe