CID 10516697

1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethane-1,1-diol hydrochloride

Structural Information

Molecular Formula
C8H7ClF3NO2
SMILES
C1=CC(=C(C=C1Cl)C(C(F)(F)F)(O)O)N
InChI
InChI=1S/C8H7ClF3NO2/c9-4-1-2-6(13)5(3-4)7(14,15)8(10,11)12/h1-3,14-15H,13H2
InChIKey
ASWVRQMOOIXPCJ-UHFFFAOYSA-N
Compound name
1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethane-1,1-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01173 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01901 143.4
[M+Na]+ 264.00095 153.1
[M-H]- 240.00445 140.8
[M+NH4]+ 259.04555 160.4
[M+K]+ 279.97489 148.0
[M+H-H2O]+ 224.00899 137.4
[M+HCOO]- 286.00993 155.3
[M+CH3COO]- 300.02558 186.1
[M+Na-2H]- 261.98640 148.5
[M]+ 241.01118 138.5
[M]- 241.01228 138.5
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

No patent data available for this compound.