CID 243582

N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C9H7ClF3NO
SMILES
CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C9H7ClF3NO/c1-5(15)14-8-4-6(9(11,12)13)2-3-7(8)10/h2-4H,1H3,(H,14,15)
InChIKey
KQBBIJPLOXRSLZ-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

237.01683 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02411 143.1
[M+Na]+ 260.00605 153.1
[M-H]- 236.00955 143.4
[M+NH4]+ 255.05065 161.8
[M+K]+ 275.97999 148.6
[M+H-H2O]+ 220.01409 136.1
[M+HCOO]- 282.01503 158.9
[M+CH3COO]- 296.03068 191.5
[M+Na-2H]- 257.99150 147.5
[M]+ 237.01628 141.0
[M]- 237.01738 141.0
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

patents stripe