CID 21698067

5-chloropyrazine-2-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
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

No literature data available for this compound.

Patent stripe

patents stripe