CID 75481192

1803600-48-7

Structural Information

Molecular Formula
C10H9Cl2N3
SMILES
CN1C(=NN=C1C2=CC=C(C=C2)Cl)CCl
InChI
InChI=1S/C10H9Cl2N3/c1-15-9(6-11)13-14-10(15)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3
InChIKey
ZMYWAVNTUVNPMI-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02463 149.1
[M+Na]+ 264.00657 161.0
[M-H]- 240.01007 151.3
[M+NH4]+ 259.05117 165.9
[M+K]+ 279.98051 154.8
[M+H-H2O]+ 224.01461 140.7
[M+HCOO]- 286.01555 161.3
[M+CH3COO]- 300.03120 161.6
[M+Na-2H]- 261.99202 152.7
[M]+ 241.01680 152.6
[M]- 241.01790 152.6
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

No patent data available for this compound.