CID 3369101

302934-55-0

Structural Information

Molecular Formula
C16H13Cl5N2O
SMILES
C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H13Cl5N2O/c17-11-6-7-13(12(18)9-11)22-15(16(19,20)21)23-14(24)8-10-4-2-1-3-5-10/h1-7,9,15,22H,8H2,(H,23,24)
InChIKey
VOCRQEFRQGFMQQ-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2,2,2-trichloro-1-(2,4-dichloroanilino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.94705 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.95433 191.0
[M+Na]+ 446.93627 196.9
[M-H]- 422.93977 191.8
[M+NH4]+ 441.98087 201.1
[M+K]+ 462.91021 190.5
[M+H-H2O]+ 406.94431 186.5
[M+HCOO]- 468.94525 187.5
[M+CH3COO]- 482.96090 224.3
[M+Na-2H]- 444.92172 190.0
[M]+ 423.94650 191.3
[M]- 423.94760 191.3
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.