CID 202511

10480-24-7

Structural Information

Molecular Formula
C14H11ClN4O2
SMILES
C1C(N(N=N1)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H11ClN4O2/c15-11-4-6-12(7-5-11)18-14(9-16-17-18)10-2-1-3-13(8-10)19(20)21/h1-8,14H,9H2
InChIKey
KCDARQHVWXTOBW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-(3-nitrophenyl)-4,5-dihydrotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05707 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06435 166.9
[M+Na]+ 325.04629 174.5
[M-H]- 301.04979 172.7
[M+NH4]+ 320.09089 178.9
[M+K]+ 341.02023 164.8
[M+H-H2O]+ 285.05433 161.0
[M+HCOO]- 347.05527 183.9
[M+CH3COO]- 361.07092 195.0
[M+Na-2H]- 323.03174 172.4
[M]+ 302.05652 165.7
[M]- 302.05762 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.