CID 3006142

Usaf k-1347

Structural Information

Molecular Formula
C13H15ClN2S
SMILES
CC1=CC(NC(=S)N1C2=CC=CC=C2Cl)(C)C
InChI
InChI=1S/C13H15ClN2S/c1-9-8-13(2,3)15-12(17)16(9)11-7-5-4-6-10(11)14/h4-8H,1-3H3,(H,15,17)
InChIKey
WXCVNTSZORXSRP-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.06445 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07173 155.0
[M+Na]+ 289.05367 165.4
[M-H]- 265.05717 158.2
[M+NH4]+ 284.09827 172.3
[M+K]+ 305.02761 158.4
[M+H-H2O]+ 249.06171 149.0
[M+HCOO]- 311.06265 163.3
[M+CH3COO]- 325.07830 166.5
[M+Na-2H]- 287.03912 156.3
[M]+ 266.06390 155.4
[M]- 266.06500 155.4
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.