CID 55255478

4-[(1s)-1-aminoethyl]-3-fluorophenol hydrochloride

Structural Information

Molecular Formula
C8H10FNO
SMILES
C[C@@H](C1=C(C=C(C=C1)O)F)N
InChI
InChI=1S/C8H10FNO/c1-5(10)7-3-2-6(11)4-8(7)9/h2-5,11H,10H2,1H3/t5-/m0/s1
InChIKey
OBKMDRKVZXRMBQ-YFKPBYRVSA-N
Compound name
4-[(1S)-1-aminoethyl]-3-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

155.07465 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.081926 130.0
[M+Na]+ 178.063868 138.3
[M-H]- 154.067374 131.2
[M+NH4]+ 173.108473 150.3
[M+K]+ 194.037808 135.9
[M+H-H2O]+ 138.071910 124.0
[M+HCOO]- 200.072851 152.0
[M+CH3COO]- 214.088501 177.7
[M+Na-2H]- 176.049316 134.2
[M]+ 155.07410142 126.3
[M]- 155.07519858 126.3
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