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 159.1
[M+Na]+ 323.01470 170.3
[M-H]- 299.01820 161.9
[M+NH4]+ 318.05930 175.6
[M+K]+ 338.98864 162.4
[M+H-H2O]+ 283.02274 153.9
[M+HCOO]- 345.02368 162.3
[M+CH3COO]- 359.03933 170.1
[M+Na-2H]- 321.00015 159.1
[M]+ 300.02493 160.7
[M]- 300.02603 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.