CID 3021733

Acetanilide, 2'-chloro-2,2,2-trifluoro-5'-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H4ClF6NO
SMILES
C1=CC(=C(C=C1C(F)(F)F)NC(=O)C(F)(F)F)Cl
InChI
InChI=1S/C9H4ClF6NO/c10-5-2-1-4(8(11,12)13)3-6(5)17-7(18)9(14,15)16/h1-3H,(H,17,18)
InChIKey
SEESVLMJLBKUHA-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.98856 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.99584 150.4
[M+Na]+ 313.97778 161.0
[M-H]- 289.98128 147.0
[M+NH4]+ 309.02238 166.7
[M+K]+ 329.95172 155.7
[M+H-H2O]+ 273.98582 141.0
[M+HCOO]- 335.98676 161.4
[M+CH3COO]- 350.00241 199.9
[M+Na-2H]- 311.96323 153.9
[M]+ 290.98801 143.9
[M]- 290.98911 143.9
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

No patent data available for this compound.