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

13
Patents

192.04543 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 138.9
[M+Na]+ 215.03465 148.4
[M-H]- 191.03815 141.5
[M+NH4]+ 210.07925 157.5
[M+K]+ 231.00859 142.7
[M+H-H2O]+ 175.04269 131.4
[M+HCOO]- 237.04363 156.4
[M+CH3COO]- 251.05928 151.8
[M+Na-2H]- 213.02010 144.7
[M]+ 192.04488 138.7
[M]- 192.04598 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