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 165.5
[M+Na]+ 326.97322 176.2
[M-H]- 302.97672 169.2
[M+NH4]+ 322.01782 180.9
[M+K]+ 342.94716 170.4
[M+H-H2O]+ 286.98126 155.1
[M+HCOO]- 348.98220 172.9
[M+CH3COO]- 362.99785 211.0
[M+Na-2H]- 324.95867 166.3
[M]+ 303.98345 167.0
[M]- 303.98455 167.0
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.