CID 4165150

Hbf-0259

Structural Information

Molecular Formula
C16H12Cl2FN5
SMILES
C1C(NC2=NN=NN2C1C3=C(C=CC=C3Cl)F)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H12Cl2FN5/c17-10-6-4-9(5-7-10)13-8-14(24-16(20-13)21-22-23-24)15-11(18)2-1-3-12(15)19/h1-7,13-14H,8H2,(H,20,21,23)
InChIKey
BRBZPYDLUUWBCD-UHFFFAOYSA-N
Compound name
7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

164
Patents

363.04538 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.05266 180.9
[M+Na]+ 386.03460 192.1
[M-H]- 362.03810 181.4
[M+NH4]+ 381.07920 189.8
[M+K]+ 402.00854 182.3
[M+H-H2O]+ 346.04264 167.9
[M+HCOO]- 408.04358 183.9
[M+CH3COO]- 422.05923 188.9
[M+Na-2H]- 384.02005 181.6
[M]+ 363.04483 179.5
[M]- 363.04593 179.5
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