CID 55270800

1245623-52-2

Structural Information

Molecular Formula
C8H9ClFNO
SMILES
C1=CC(=C(C(=C1)Cl)F)C(CO)N
InChI
InChI=1S/C8H9ClFNO/c9-6-3-1-2-5(8(6)10)7(11)4-12/h1-3,7,12H,4,11H2
InChIKey
TUGSNFQSUXFGGZ-UHFFFAOYSA-N
Compound name
2-amino-2-(3-chloro-2-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

189.03568 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04296 135.6
[M+Na]+ 212.02490 144.6
[M-H]- 188.02840 136.5
[M+NH4]+ 207.06950 155.3
[M+K]+ 227.99884 140.1
[M+H-H2O]+ 172.03294 130.5
[M+HCOO]- 234.03388 153.1
[M+CH3COO]- 248.04953 181.6
[M+Na-2H]- 210.01035 139.4
[M]+ 189.03513 134.0
[M]- 189.03623 134.0
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