CID 17962962

3-chloropyrazine-2-carbaldehyde

Structural Information

Molecular Formula
C5H3ClN2O
SMILES
C1=CN=C(C(=N1)C=O)Cl
InChI
InChI=1S/C5H3ClN2O/c6-5-4(3-9)7-1-2-8-5/h1-3H
InChIKey
QRVSQUNWTBLLOC-UHFFFAOYSA-N
Compound name
3-chloropyrazine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

141.9934 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.000676 121.3
[M+Na]+ 164.982618 132.3
[M-H]- 140.986124 122.5
[M+NH4]+ 160.027223 141.1
[M+K]+ 180.956558 129.3
[M+H-H2O]+ 124.990660 115.2
[M+HCOO]- 186.991601 140.2
[M+CH3COO]- 201.007251 170.8
[M+Na-2H]- 162.968066 130.6
[M]+ 141.99285142 123.6
[M]- 141.99394858 123.6
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