CID 21473997

2,4-dichloro-7-(trifluoromethyl)quinazoline

Structural Information

Molecular Formula
C9H3Cl2F3N2
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C(N=C2Cl)Cl
InChI
InChI=1S/C9H3Cl2F3N2/c10-7-5-2-1-4(9(12,13)14)3-6(5)15-8(11)16-7/h1-3H
InChIKey
PRJBXUBPUYNFQF-UHFFFAOYSA-N
Compound name
2,4-dichloro-7-(trifluoromethyl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

265.96252 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.96980 146.2
[M+Na]+ 288.95174 159.5
[M-H]- 264.95524 144.1
[M+NH4]+ 283.99634 163.0
[M+K]+ 304.92568 152.5
[M+H-H2O]+ 248.95978 137.6
[M+HCOO]- 310.96072 153.4
[M+CH3COO]- 324.97637 193.8
[M+Na-2H]- 286.93719 153.1
[M]+ 265.96197 146.3
[M]- 265.96307 146.3
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