CID 153985

Diflovidazin

Structural Information

Molecular Formula
C14H7ClF2N4
SMILES
C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=C(C=CC=C3F)F)Cl
InChI
InChI=1S/C14H7ClF2N4/c15-9-5-2-1-4-8(9)13-18-20-14(21-19-13)12-10(16)6-3-7-11(12)17/h1-7H
InChIKey
SWBHWUYHHJCADA-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-6-(2,6-difluorophenyl)-1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9045
Patents

304.03275 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04003 164.9
[M+Na]+ 327.02197 177.4
[M-H]- 303.02547 167.0
[M+NH4]+ 322.06657 175.0
[M+K]+ 342.99591 168.8
[M+H-H2O]+ 287.03001 151.7
[M+HCOO]- 349.03095 177.9
[M+CH3COO]- 363.04660 175.5
[M+Na-2H]- 325.00742 170.7
[M]+ 304.03220 164.8
[M]- 304.03330 164.8
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

patents stripe