CID 59760770

389579-66-2

Structural Information

Molecular Formula
C19H13Cl6N3
SMILES
CCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C19H13Cl6N3/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15-26-16(18(20,21)22)28-17(27-15)19(23,24)25/h3-10H,2H2,1H3
InChIKey
XBWGBEZTVOHKSB-UHFFFAOYSA-N
Compound name
2-[4-(4-ethylphenyl)phenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

492.92407 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.93135 205.7
[M+Na]+ 515.91329 212.6
[M-H]- 491.91679 202.7
[M+NH4]+ 510.95789 209.1
[M+K]+ 531.88723 207.1
[M+H-H2O]+ 475.92133 194.4
[M+HCOO]- 537.92227 190.4
[M+CH3COO]- 551.93792 208.4
[M+Na-2H]- 513.89874 203.6
[M]+ 492.92352 203.7
[M]- 492.92462 203.7
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

patents stripe