CID 3065713

Brn 5073395

Structural Information

Molecular Formula
C15H12ClN3O
SMILES
C1=CC=C(C=C1)N2C=C(N=N2)COC3=CC=CC=C3Cl
InChI
InChI=1S/C15H12ClN3O/c16-14-8-4-5-9-15(14)20-11-12-10-19(18-17-12)13-6-2-1-3-7-13/h1-10H,11H2
InChIKey
XAXUHSZUVAIDIF-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenoxy)methyl]-1-phenyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0669 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07418 162.6
[M+Na]+ 308.05612 172.5
[M-H]- 284.05962 168.4
[M+NH4]+ 303.10072 176.4
[M+K]+ 324.03006 166.1
[M+H-H2O]+ 268.06416 152.0
[M+HCOO]- 330.06510 180.0
[M+CH3COO]- 344.08075 174.3
[M+Na-2H]- 306.04157 167.6
[M]+ 285.06635 165.7
[M]- 285.06745 165.7
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

No patent data available for this compound.