CID 2734681

Quinoxaline-2-carbonyl chloride

Structural Information

Molecular Formula
C9H5ClN2O
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C(=O)Cl
InChI
InChI=1S/C9H5ClN2O/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-5H
InChIKey
SOPDQKNXOCUBSR-UHFFFAOYSA-N
Compound name
quinoxaline-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

725
Patents

192.00903 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.01631 134.5
[M+Na]+ 214.99825 145.1
[M-H]- 191.00175 136.5
[M+NH4]+ 210.04285 153.2
[M+K]+ 230.97219 140.7
[M+H-H2O]+ 175.00629 127.7
[M+HCOO]- 237.00723 151.1
[M+CH3COO]- 251.02288 148.0
[M+Na-2H]- 212.98370 143.8
[M]+ 192.00848 136.7
[M]- 192.00958 136.7
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

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