CID 63085339

4,6-dichloro-2-(difluoromethyl)quinazoline

Structural Information

Molecular Formula
C9H4Cl2F2N2
SMILES
C1=CC2=C(C=C1Cl)C(=NC(=N2)C(F)F)Cl
InChI
InChI=1S/C9H4Cl2F2N2/c10-4-1-2-6-5(3-4)7(11)15-9(14-6)8(12)13/h1-3,8H
InChIKey
XOAPMJIJMMRLQS-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(difluoromethyl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.97195 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97923 141.4
[M+Na]+ 270.96117 153.9
[M-H]- 246.96467 140.3
[M+NH4]+ 266.00577 158.7
[M+K]+ 286.93511 147.4
[M+H-H2O]+ 230.96921 133.5
[M+HCOO]- 292.97015 150.3
[M+CH3COO]- 306.98580 153.6
[M+Na-2H]- 268.94662 147.3
[M]+ 247.97140 142.6
[M]- 247.97250 142.6
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.