CID 45791544

2,4-dichloro-1-phenyl-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula
C10H6Cl2N2O
SMILES
C1=CC=C(C=C1)N2C(=C(N=C2Cl)Cl)C=O
InChI
InChI=1S/C10H6Cl2N2O/c11-9-8(6-15)14(10(12)13-9)7-4-2-1-3-5-7/h1-6H
InChIKey
PQDZCIGLVYKTPP-UHFFFAOYSA-N
Compound name
2,5-dichloro-3-phenylimidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.98572 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99300 147.2
[M+Na]+ 262.97494 159.4
[M-H]- 238.97844 151.1
[M+NH4]+ 258.01954 165.3
[M+K]+ 278.94888 153.2
[M+H-H2O]+ 222.98298 140.1
[M+HCOO]- 284.98392 161.3
[M+CH3COO]- 298.99957 160.4
[M+Na-2H]- 260.96039 151.0
[M]+ 239.98517 151.2
[M]- 239.98627 151.2
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