CID 206321

Brn 0837245

Structural Information

Molecular Formula
C16H10F4N2S
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=S)N1C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H10F4N2S/c1-9-21-14-6-5-11(17)8-13(14)15(23)22(9)12-4-2-3-10(7-12)16(18,19)20/h2-8H,1H3
InChIKey
FOMXGUQFHSAATI-UHFFFAOYSA-N
Compound name
6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.05008 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05736 172.4
[M+Na]+ 361.03930 185.4
[M-H]- 337.04280 173.2
[M+NH4]+ 356.08390 185.6
[M+K]+ 377.01324 176.9
[M+H-H2O]+ 321.04734 160.6
[M+HCOO]- 383.04828 182.4
[M+CH3COO]- 397.06393 182.7
[M+Na-2H]- 359.02475 174.3
[M]+ 338.04953 170.6
[M]- 338.05063 170.6
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.