CID 2103995

2-chloro-n-({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)-n-(propan-2-yl)acetamide

Structural Information

Molecular Formula
C14H15Cl2F3N2O2
SMILES
CC(C)N(CC(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)C(=O)CCl
InChI
InChI=1S/C14H15Cl2F3N2O2/c1-8(2)21(13(23)6-15)7-12(22)20-11-4-3-9(16)5-10(11)14(17,18)19/h3-5,8H,6-7H2,1-2H3,(H,20,22)
InChIKey
NCFQQSCEJZFFBI-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

370.04626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.05354 175.9
[M+Na]+ 393.03548 183.3
[M-H]- 369.03898 176.6
[M+NH4]+ 388.08008 190.0
[M+K]+ 409.00942 178.6
[M+H-H2O]+ 353.04352 168.6
[M+HCOO]- 415.04446 185.4
[M+CH3COO]- 429.06011 221.0
[M+Na-2H]- 391.02093 174.6
[M]+ 370.04571 177.4
[M]- 370.04681 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.