CID 118180489

3-chloro-2-(1,1-difluorobut-3-en-1-yl)-6-methoxyquinoxaline

Structural Information

Molecular Formula
C13H11ClF2N2O
SMILES
COC1=CC2=C(C=C1)N=C(C(=N2)Cl)C(CC=C)(F)F
InChI
InChI=1S/C13H11ClF2N2O/c1-3-6-13(15,16)11-12(14)18-10-7-8(19-2)4-5-9(10)17-11/h3-5,7H,1,6H2,2H3
InChIKey
BPSVWHVEZIDAHQ-UHFFFAOYSA-N
Compound name
3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

284.0528 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06008 160.2
[M+Na]+ 307.04202 171.6
[M-H]- 283.04552 159.6
[M+NH4]+ 302.08662 175.7
[M+K]+ 323.01596 165.3
[M+H-H2O]+ 267.05006 151.3
[M+HCOO]- 329.05100 172.5
[M+CH3COO]- 343.06665 200.2
[M+Na-2H]- 305.02747 166.3
[M]+ 284.05225 162.4
[M]- 284.05335 162.4
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

patents stripe