CID 10987882

Dtxsid40657739

Structural Information

Molecular Formula
C8H5ClF3NO
SMILES
C1=CC(=C(C=C1Cl)C(=O)C(F)(F)F)N
InChI
InChI=1S/C8H5ClF3NO/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12/h1-3H,13H2
InChIKey
NOKSRMDODJGCPZ-UHFFFAOYSA-N
Compound name
1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

371
Patents

223.00117 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.008446 138.7
[M+Na]+ 245.990388 149.0
[M-H]- 221.993894 138.6
[M+NH4]+ 241.034993 157.6
[M+K]+ 261.964328 144.4
[M+H-H2O]+ 205.998430 131.9
[M+HCOO]- 267.999371 154.1
[M+CH3COO]- 282.015021 188.5
[M+Na-2H]- 243.975836 142.5
[M]+ 223.00062142 135.3
[M]- 223.00171858 135.3
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

No patent data available for this compound.