CID 2386142

80910-70-9

Structural Information

Molecular Formula
C12H13ClF3NO3
SMILES
COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CCl
InChI
InChI=1S/C12H13ClF3NO3/c1-19-4-5-20-10-3-2-8(12(14,15)16)6-9(10)17-11(18)7-13/h2-3,6H,4-5,7H2,1H3,(H,17,18)
InChIKey
AQFVHMNPUFIIKH-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.05362 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.06090 162.8
[M+Na]+ 334.04284 171.3
[M-H]- 310.04634 162.6
[M+NH4]+ 329.08744 178.4
[M+K]+ 350.01678 167.2
[M+H-H2O]+ 294.05088 154.8
[M+HCOO]- 356.05182 178.1
[M+CH3COO]- 370.06747 204.5
[M+Na-2H]- 332.02829 165.8
[M]+ 311.05307 164.8
[M]- 311.05417 164.8
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.