CID 13643616

4-(2-aminoethyl)-3-fluorophenol hydrobromide

Structural Information

Molecular Formula
C8H10FNO
SMILES
C1=CC(=C(C=C1O)F)CCN
InChI
InChI=1S/C8H10FNO/c9-8-5-7(11)2-1-6(8)3-4-10/h1-2,5,11H,3-4,10H2
InChIKey
VNJHWFPYBFFKMD-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-3-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

155.07465 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.081926 129.5
[M+Na]+ 178.063868 138.0
[M-H]- 154.067374 130.6
[M+NH4]+ 173.108473 149.8
[M+K]+ 194.037808 135.1
[M+H-H2O]+ 138.071910 123.4
[M+HCOO]- 200.072851 152.5
[M+CH3COO]- 214.088501 176.8
[M+Na-2H]- 176.049316 135.0
[M]+ 155.07410142 126.5
[M]- 155.07519858 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

No literature data available for this compound.

Patent stripe

patents stripe