CID 206322

Brn 0809734

Structural Information

Molecular Formula
C15H10ClFN2S
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=S)N1C3=CC=CC=C3Cl
InChI
InChI=1S/C15H10ClFN2S/c1-9-18-13-7-6-10(17)8-11(13)15(20)19(9)14-5-3-2-4-12(14)16/h2-8H,1H3
InChIKey
VOVBEHPYSZSZQA-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-6-fluoro-2-methylquinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0237 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.03098 162.5
[M+Na]+ 327.01292 176.1
[M-H]- 303.01642 167.2
[M+NH4]+ 322.05752 178.1
[M+K]+ 342.98686 167.6
[M+H-H2O]+ 287.02096 154.0
[M+HCOO]- 349.02190 173.1
[M+CH3COO]- 363.03755 174.7
[M+Na-2H]- 324.99837 165.6
[M]+ 304.02315 166.3
[M]- 304.02425 166.3
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

No patent data available for this compound.