CID 394917

Nsc699010

Structural Information

Molecular Formula
C11H14FNO2S3
SMILES
CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C11H14FNO2S3/c1-3-13(4-2)11(16)17-18(14,15)10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3
InChIKey
ODNCYLCIRQTIQM-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)sulfonyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.01706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.02434 164.1
[M+Na]+ 330.00628 170.7
[M-H]- 306.00978 166.1
[M+NH4]+ 325.05088 179.3
[M+K]+ 345.98022 164.2
[M+H-H2O]+ 290.01432 156.2
[M+HCOO]- 352.01526 169.1
[M+CH3COO]- 366.03091 204.2
[M+Na-2H]- 327.99173 163.5
[M]+ 307.01651 165.7
[M]- 307.01761 165.7
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.