CID 206387

Quinazoline, 6-chloro-4-phenyl-2-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C21H12ClF3N2
SMILES
C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C21H12ClF3N2/c22-16-9-10-18-17(12-16)19(13-5-2-1-3-6-13)27-20(26-18)14-7-4-8-15(11-14)21(23,24)25/h1-12H
InChIKey
CNEJQMZFMLUABG-UHFFFAOYSA-N
Compound name
6-chloro-4-phenyl-2-[3-(trifluoromethyl)phenyl]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.06412 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.07140 189.3
[M+Na]+ 407.05334 200.6
[M-H]- 383.05684 193.3
[M+NH4]+ 402.09794 199.8
[M+K]+ 423.02728 190.7
[M+H-H2O]+ 367.06138 175.6
[M+HCOO]- 429.06232 199.7
[M+CH3COO]- 443.07797 198.4
[M+Na-2H]- 405.03879 194.1
[M]+ 384.06357 187.9
[M]- 384.06467 187.9
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.