CID 4457731

30148-18-6

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
CN1C=CN=C1C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9ClN2O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKey
SDDUQCWOAVSVHV-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(1-methylimidazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

220.04034 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.047616 145.1
[M+Na]+ 243.029558 155.5
[M-H]- 219.033064 149.6
[M+NH4]+ 238.074163 163.5
[M+K]+ 259.003498 150.8
[M+H-H2O]+ 203.037600 137.5
[M+HCOO]- 265.038541 163.3
[M+CH3COO]- 279.054191 186.3
[M+Na-2H]- 241.015006 149.0
[M]+ 220.03979142 147.7
[M]- 220.04088858 147.7
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