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]+ 131.000676 120.4
[M+Na]+ 152.982618 131.3
[M-H]- 128.986124 120.3
[M+NH4]+ 148.027223 141.7
[M+K]+ 168.956558 127.8
[M+H-H2O]+ 112.990660 114.7
[M+HCOO]- 174.991601 138.8
[M+CH3COO]- 189.007251 165.2
[M+Na-2H]- 150.968066 127.0
[M]+ 129.99285142 120.9
[M]- 129.99394858 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