CID 16767620

2-amino-1-[4-(difluoromethoxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C9H11F2NO2
SMILES
C1=CC(=CC=C1C(CN)O)OC(F)F
InChI
InChI=1S/C9H11F2NO2/c10-9(11)14-7-3-1-6(2-4-7)8(13)5-12/h1-4,8-9,13H,5,12H2
InChIKey
OSJPAJKRRGXALE-UHFFFAOYSA-N
Compound name
2-amino-1-[4-(difluoromethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.07579 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08307 141.0
[M+Na]+ 226.06501 147.5
[M-H]- 202.06851 140.1
[M+NH4]+ 221.10961 158.7
[M+K]+ 242.03895 145.4
[M+H-H2O]+ 186.07305 133.2
[M+HCOO]- 248.07399 160.8
[M+CH3COO]- 262.08964 185.3
[M+Na-2H]- 224.05046 143.4
[M]+ 203.07524 136.9
[M]- 203.07634 136.9
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