CID 673683

78018-17-4

Structural Information

Molecular Formula
C6H5F3N2S
SMILES
CC1=CC(=NC(=S)N1)C(F)(F)F
InChI
InChI=1S/C6H5F3N2S/c1-3-2-4(6(7,8)9)11-5(12)10-3/h2H,1H3,(H,10,11,12)
InChIKey
KKAFDOIDJWXCHG-UHFFFAOYSA-N
Compound name
6-methyl-4-(trifluoromethyl)-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

194.01256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.01984 132.4
[M+Na]+ 217.00178 143.6
[M-H]- 193.00528 129.0
[M+NH4]+ 212.04638 149.6
[M+K]+ 232.97572 138.7
[M+H-H2O]+ 177.00982 124.0
[M+HCOO]- 239.01076 144.0
[M+CH3COO]- 253.02641 178.2
[M+Na-2H]- 214.98723 135.6
[M]+ 194.01201 128.5
[M]- 194.01311 128.5
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