CID 37722

37302-03-7

Structural Information

Molecular Formula
C8H10FNO2
SMILES
C1=CC(=C(C=C1C(CN)O)F)O
InChI
InChI=1S/C8H10FNO2/c9-6-3-5(8(12)4-10)1-2-7(6)11/h1-3,8,11-12H,4,10H2
InChIKey
TYFNBAWXKVCFMT-UHFFFAOYSA-N
Compound name
4-(2-amino-1-hydroxyethyl)-2-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

171.06955 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.076826 133.7
[M+Na]+ 194.058768 141.4
[M-H]- 170.062274 133.4
[M+NH4]+ 189.103373 152.4
[M+K]+ 210.032708 138.6
[M+H-H2O]+ 154.066810 127.6
[M+HCOO]- 216.067751 154.3
[M+CH3COO]- 230.083401 177.4
[M+Na-2H]- 192.044216 137.3
[M]+ 171.06900142 129.5
[M]- 171.07009858 129.5
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