CID 5011391

30148-26-6

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
CN1C=CN=C1C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C11H9ClN2O/c1-14-7-6-13-11(14)10(15)8-4-2-3-5-9(8)12/h2-7H,1H3
InChIKey
XUOHNXMVWFHIDF-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(1-methylimidazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

220.04034 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 145.1
[M+Na]+ 243.02956 155.5
[M-H]- 219.03306 149.6
[M+NH4]+ 238.07416 163.5
[M+K]+ 259.00350 150.8
[M+H-H2O]+ 203.03760 137.5
[M+HCOO]- 265.03854 163.3
[M+CH3COO]- 279.05419 186.3
[M+Na-2H]- 241.01501 149.0
[M]+ 220.03979 147.7
[M]- 220.04089 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

literature stripe

Patent stripe

patents stripe