CID 39869859

3-chloro-5-(2,4-dichlorophenyl)-4-methyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C9H6Cl3N3
SMILES
CN1C(=NN=C1Cl)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H6Cl3N3/c1-15-8(13-14-9(15)12)6-3-2-5(10)4-7(6)11/h2-4H,1H3
InChIKey
WQFIFVHVWPTFBR-UHFFFAOYSA-N
Compound name
3-chloro-5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.96274 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.97002 151.1
[M+Na]+ 283.95196 163.8
[M-H]- 259.95546 152.3
[M+NH4]+ 278.99656 167.1
[M+K]+ 299.92590 157.4
[M+H-H2O]+ 243.96000 143.2
[M+HCOO]- 305.96094 157.8
[M+CH3COO]- 319.97659 162.9
[M+Na-2H]- 281.93741 153.3
[M]+ 260.96219 154.4
[M]- 260.96329 154.4
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