CID 3021901

91874-55-4

Structural Information

Molecular Formula
C10H9ClN2
SMILES
C1=CC=C(C(=C1)CC2=CN=CN2)Cl
InChI
InChI=1S/C10H9ClN2/c11-10-4-2-1-3-8(10)5-9-6-12-7-13-9/h1-4,6-7H,5H2,(H,12,13)
InChIKey
YUIXJMDBSJGFOZ-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

192.04543 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.052706 138.9
[M+Na]+ 215.034648 148.4
[M-H]- 191.038154 141.5
[M+NH4]+ 210.079253 157.5
[M+K]+ 231.008588 142.7
[M+H-H2O]+ 175.042690 131.4
[M+HCOO]- 237.043631 156.4
[M+CH3COO]- 251.059281 151.8
[M+Na-2H]- 213.020096 144.7
[M]+ 192.04488142 138.7
[M]- 192.04597858 138.7
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