CID 24274796

1-[1-(4-chlorophenyl)-5-methyl-1h-1,2,3-triazol-4-yl]ethan-1-one

Structural Information

Molecular Formula
C11H10ClN3O
SMILES
CC1=C(N=NN1C2=CC=C(C=C2)Cl)C(=O)C
InChI
InChI=1S/C11H10ClN3O/c1-7-11(8(2)16)13-14-15(7)10-5-3-9(12)4-6-10/h3-6H,1-2H3
InChIKey
OZONUSMRKZZGLS-UHFFFAOYSA-N
Compound name
1-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.05124 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05852 149.1
[M+Na]+ 258.04046 160.4
[M-H]- 234.04396 152.5
[M+NH4]+ 253.08506 165.7
[M+K]+ 274.01440 155.6
[M+H-H2O]+ 218.04850 140.8
[M+HCOO]- 280.04944 165.9
[M+CH3COO]- 294.06509 190.3
[M+Na-2H]- 256.02591 152.2
[M]+ 235.05069 152.5
[M]- 235.05179 152.5
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

No patent data available for this compound.