CID 210831

21726-82-9

Structural Information

Molecular Formula
C11H10Cl2N2O2S
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC(=O)NCCSC#N
InChI
InChI=1S/C11H10Cl2N2O2S/c12-8-1-2-10(9(13)5-8)17-6-11(16)15-3-4-18-7-14/h1-2,5H,3-4,6H2,(H,15,16)
InChIKey
MZMHGFJKTWJEQP-UHFFFAOYSA-N
Compound name
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.984 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.99128 157.4
[M+Na]+ 326.97322 168.8
[M+NH4]+ 322.01782 161.9
[M+K]+ 342.94716 157.5
[M-H]- 302.97672 152.2
[M+Na-2H]- 324.95867 160.4
[M]+ 303.98345 157.6
[M]- 303.98455 157.6
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.