CID 5356011

6640-58-0

Structural Information

Molecular Formula
C11H7Cl3N2
SMILES
C1=CC=C2C(=C1)N=CC(=N2)/C=C/C(Cl)(Cl)Cl
InChI
InChI=1S/C11H7Cl3N2/c12-11(13,14)6-5-8-7-15-9-3-1-2-4-10(9)16-8/h1-7H/b6-5+
InChIKey
UPAOWTAFCNXMEO-AATRIKPKSA-N
Compound name
2-[(E)-3,3,3-trichloroprop-1-enyl]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.96747 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.97475 154.8
[M+Na]+ 294.95669 165.4
[M-H]- 270.96019 154.5
[M+NH4]+ 290.00129 170.8
[M+K]+ 310.93063 158.1
[M+H-H2O]+ 254.96473 148.5
[M+HCOO]- 316.96567 159.0
[M+CH3COO]- 330.98132 165.5
[M+Na-2H]- 292.94214 162.3
[M]+ 271.96692 157.1
[M]- 271.96802 157.1
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.