CID 9207828

878259-81-5

Structural Information

Molecular Formula
C16H14ClF3N2O3
SMILES
C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CN(CC2=CC=CO2)C(=O)CCl
InChI
InChI=1S/C16H14ClF3N2O3/c17-8-15(24)22(9-11-4-3-7-25-11)10-14(23)21-13-6-2-1-5-12(13)16(18,19)20/h1-7H,8-10H2,(H,21,23)
InChIKey
CWUXECGDZKNEKT-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0645 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07178 183.0
[M+Na]+ 397.05372 189.3
[M-H]- 373.05722 187.6
[M+NH4]+ 392.09832 195.9
[M+K]+ 413.02766 186.1
[M+H-H2O]+ 357.06176 173.3
[M+HCOO]- 419.06270 198.8
[M+CH3COO]- 433.07835 218.6
[M+Na-2H]- 395.03917 184.0
[M]+ 374.06395 184.3
[M]- 374.06505 184.3
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.