CID 44146556

69432-53-7

Structural Information

Molecular Formula
C19H14Cl6N4O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3(N=C(NC(=N3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)CC(=O)N
InChI
InChI=1S/C19H14Cl6N4O/c20-18(21,22)15-27-16(19(23,24)25)29-17(28-15,10-14(26)30)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,26,30)(H,27,28,29)
InChIKey
OXCZDXQUUAGXKD-UHFFFAOYSA-N
Compound name
2-[4-(4-phenylphenyl)-2,6-bis(trichloromethyl)-1H-1,3,5-triazin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.9299 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.93718 203.8
[M+Na]+ 546.91912 208.8
[M-H]- 522.92262 200.0
[M+NH4]+ 541.96372 206.7
[M+K]+ 562.89306 203.8
[M+H-H2O]+ 506.92716 194.7
[M+HCOO]- 568.92810 187.3
[M+CH3COO]- 582.94375 205.6
[M+Na-2H]- 544.90457 202.3
[M]+ 523.92935 198.7
[M]- 523.93045 198.7
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.