CID 3041574

Brn 0810207

Structural Information

Molecular Formula
C15H10F2N2S
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=S)N1C3=CC(=CC=C3)F
InChI
InChI=1S/C15H10F2N2S/c1-9-18-14-6-5-11(17)8-13(14)15(20)19(9)12-4-2-3-10(16)7-12/h2-8H,1H3
InChIKey
QTHUSMOLTPAVJG-UHFFFAOYSA-N
Compound name
6-fluoro-3-(3-fluorophenyl)-2-methylquinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.05328 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06056 160.0
[M+Na]+ 311.04250 173.1
[M-H]- 287.04600 163.5
[M+NH4]+ 306.08710 175.4
[M+K]+ 327.01644 165.3
[M+H-H2O]+ 271.05054 150.0
[M+HCOO]- 333.05148 174.2
[M+CH3COO]- 347.06713 172.0
[M+Na-2H]- 309.02795 163.0
[M]+ 288.05273 160.7
[M]- 288.05383 160.7
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.