CID 9589062

Brn 4257745

Structural Information

Molecular Formula
C10H8ClF3N2O
SMILES
C/C(=N\NC(=O)C(F)(F)F)/C1=CC=CC=C1Cl
InChI
InChI=1S/C10H8ClF3N2O/c1-6(7-4-2-3-5-8(7)11)15-16-9(17)10(12,13)14/h2-5H,1H3,(H,16,17)/b15-6+
InChIKey
YWGPXNZHBHIQSG-GIDUJCDVSA-N
Compound name
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0277 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03498 151.5
[M+Na]+ 287.01692 159.8
[M-H]- 263.02042 152.8
[M+NH4]+ 282.06152 169.1
[M+K]+ 302.99086 155.8
[M+H-H2O]+ 247.02496 143.5
[M+HCOO]- 309.02590 168.7
[M+CH3COO]- 323.04155 200.1
[M+Na-2H]- 285.00237 155.6
[M]+ 264.02715 149.3
[M]- 264.02825 149.3
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.