CID 130067183

2792217-34-4

Structural Information

Molecular Formula
C8H7ClF3N3
SMILES
C1CNCC2=C1N=C(N=C2C(F)(F)F)Cl
InChI
InChI=1S/C8H7ClF3N3/c9-7-14-5-1-2-13-3-4(5)6(15-7)8(10,11)12/h13H,1-3H2
InChIKey
MHJYCVQEZWMPFH-UHFFFAOYSA-N
Compound name
2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.02806 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03534 146.0
[M+Na]+ 260.01728 156.0
[M-H]- 236.02078 140.9
[M+NH4]+ 255.06188 161.0
[M+K]+ 275.99122 149.9
[M+H-H2O]+ 220.02532 136.3
[M+HCOO]- 282.02626 152.8
[M+CH3COO]- 296.04191 186.0
[M+Na-2H]- 258.00273 152.3
[M]+ 237.02751 139.8
[M]- 237.02861 139.8
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.