CID 211311

22850-19-7

Structural Information

Molecular Formula
C5H9ClN3PS
SMILES
CN(C)P(=S)(N1C=CN=C1)Cl
InChI
InChI=1S/C5H9ClN3PS/c1-8(2)10(6,11)9-4-3-7-5-9/h3-5H,1-2H3
InChIKey
AYLKNHQYJHQJMG-UHFFFAOYSA-N
Compound name
N-[chloro(imidazol-1-yl)phosphinothioyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.99434 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.00162 141.1
[M+Na]+ 231.98356 151.3
[M+NH4]+ 227.02816 149.1
[M+K]+ 247.95750 146.1
[M-H]- 207.98706 141.4
[M+Na-2H]- 229.96901 146.0
[M]+ 208.99379 143.1
[M]- 208.99489 143.1
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.