CID 3034504

Usaf k-1350

Structural Information

Molecular Formula
C13H14Cl2N2S
SMILES
CC1=CC(NC(=S)N1C2=C(C=CC(=C2)Cl)Cl)(C)C
InChI
InChI=1S/C13H14Cl2N2S/c1-8-7-13(2,3)16-12(18)17(8)11-6-9(14)4-5-10(11)15/h4-7H,1-3H3,(H,16,18)
InChIKey
LRIAPYAQRQUNHL-UHFFFAOYSA-N
Compound name
3-(2,5-dichlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.02548 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03276 166.3
[M+Na]+ 323.01470 182.3
[M+NH4]+ 318.05930 176.6
[M+K]+ 338.98864 169.6
[M-H]- 299.01820 169.8
[M+Na-2H]- 321.00015 174.3
[M]+ 300.02493 171.0
[M]- 300.02603 171.0
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.