CID 34175941

1956307-48-4

Structural Information

Molecular Formula
C7H6F3N3
SMILES
C1C2=CN=C(N=C2CN1)C(F)(F)F
InChI
InChI=1S/C7H6F3N3/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6/h2,11H,1,3H2
InChIKey
WAXINHRGKZWFCJ-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

189.05138 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05866 138.0
[M+Na]+ 212.04060 146.5
[M+NH4]+ 207.08520 143.4
[M+K]+ 228.01454 143.7
[M-H]- 188.04410 133.2
[M+Na-2H]- 210.02605 141.1
[M]+ 189.05083 137.4
[M]- 189.05193 137.4
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

patents stripe