CID 155820144

2567503-04-0

Structural Information

Molecular Formula
C11H6Cl2FN5
SMILES
C1=CC(=C(C(=C1)F)Cl)CN2C3=C(C(=NC=N3)Cl)N=N2
InChI
InChI=1S/C11H6Cl2FN5/c12-8-6(2-1-3-7(8)14)4-19-11-9(17-18-19)10(13)15-5-16-11/h1-3,5H,4H2
InChIKey
IUISUGLPNWMTDU-UHFFFAOYSA-N
Compound name
7-chloro-3-[(2-chloro-3-fluorophenyl)methyl]triazolo[4,5-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.99844 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.00572 159.0
[M+Na]+ 319.98766 173.6
[M-H]- 295.99116 158.7
[M+NH4]+ 315.03226 171.8
[M+K]+ 335.96160 165.7
[M+H-H2O]+ 279.99570 147.6
[M+HCOO]- 341.99664 168.0
[M+CH3COO]- 356.01229 170.2
[M+Na-2H]- 317.97311 164.3
[M]+ 296.99789 163.5
[M]- 296.99899 163.5
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.