CID 7172328

886494-00-4

Structural Information

Molecular Formula
C9H8ClF3N2
SMILES
C1CCC2=C(C1)C(=NC(=N2)Cl)C(F)(F)F
InChI
InChI=1S/C9H8ClF3N2/c10-8-14-6-4-2-1-3-5(6)7(15-8)9(11,12)13/h1-4H2
InChIKey
POCQYMUTNWQJLH-UHFFFAOYSA-N
Compound name
2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.0328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04008 145.3
[M+Na]+ 259.02202 155.4
[M-H]- 235.02552 142.9
[M+NH4]+ 254.06662 162.5
[M+K]+ 274.99596 150.0
[M+H-H2O]+ 219.03006 136.1
[M+HCOO]- 281.03100 154.7
[M+CH3COO]- 295.04665 188.8
[M+Na-2H]- 257.00747 151.6
[M]+ 236.03225 140.9
[M]- 236.03335 140.9
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.