CID 2387240

2-chloro-n-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C9H6Cl2F3NO
SMILES
C1=CC(=C(C=C1Cl)C(F)(F)F)NC(=O)CCl
InChI
InChI=1S/C9H6Cl2F3NO/c10-4-8(16)15-7-2-1-5(11)3-6(7)9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKey
RPDZCNJWMLIHFL-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.97784 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.98512 148.1
[M+Na]+ 293.96706 158.4
[M-H]- 269.97056 147.8
[M+NH4]+ 289.01166 165.9
[M+K]+ 309.94100 152.4
[M+H-H2O]+ 253.97510 141.9
[M+HCOO]- 315.97604 158.9
[M+CH3COO]- 329.99169 196.0
[M+Na-2H]- 291.95251 151.8
[M]+ 270.97729 147.4
[M]- 270.97839 147.4
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.