CID 82619822

2-chloro-7-(trifluoromethyl)quinazoline

Structural Information

Molecular Formula
C9H4ClF3N2
SMILES
C1=CC2=CN=C(N=C2C=C1C(F)(F)F)Cl
InChI
InChI=1S/C9H4ClF3N2/c10-8-14-4-5-1-2-6(9(11,12)13)3-7(5)15-8/h1-4H
InChIKey
HHECKCKJGRMXJP-UHFFFAOYSA-N
Compound name
2-chloro-7-(trifluoromethyl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

232.00151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.008786 141.8
[M+Na]+ 254.990728 154.0
[M-H]- 230.994234 140.1
[M+NH4]+ 250.035333 159.3
[M+K]+ 270.964668 148.1
[M+H-H2O]+ 214.998770 132.6
[M+HCOO]- 276.999711 154.1
[M+CH3COO]- 291.015361 188.1
[M+Na-2H]- 252.976176 150.2
[M]+ 232.00096142 140.3
[M]- 232.00205858 140.3
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