CID 24947434

2-chloro-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula
C4H3ClN2O
SMILES
C1=C(NC(=N1)Cl)C=O
InChI
InChI=1S/C4H3ClN2O/c5-4-6-1-3(2-8)7-4/h1-2H,(H,6,7)
InChIKey
FEHGRRSOGWDXJO-UHFFFAOYSA-N
Compound name
2-chloro-1H-imidazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

129.9934 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.00068 120.4
[M+Na]+ 152.98262 131.3
[M-H]- 128.98612 120.3
[M+NH4]+ 148.02722 141.7
[M+K]+ 168.95656 127.8
[M+H-H2O]+ 112.99066 114.7
[M+HCOO]- 174.99160 138.8
[M+CH3COO]- 189.00725 165.2
[M+Na-2H]- 150.96807 127.0
[M]+ 129.99285 120.9
[M]- 129.99395 120.9
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