CID 494969

Nsc639899

Structural Information

Molecular Formula
C10H14N2O4S2
SMILES
CCS(=O)(=O)C1(CCC1(C#N)S(=O)(=O)CC)C#N
InChI
InChI=1S/C10H14N2O4S2/c1-3-17(13,14)9(7-11)5-6-10(9,8-12)18(15,16)4-2/h3-6H2,1-2H3
InChIKey
WOOACFFUVLRVPQ-UHFFFAOYSA-N
Compound name
1,2-bis(ethylsulfonyl)cyclobutane-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0395 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04678 179.3
[M+Na]+ 313.02872 186.5
[M-H]- 289.03222 184.5
[M+NH4]+ 308.07332 188.3
[M+K]+ 329.00266 188.9
[M+H-H2O]+ 273.03676 163.4
[M+HCOO]- 335.03770 181.7
[M+CH3COO]- 349.05335 223.7
[M+Na-2H]- 311.01417 180.3
[M]+ 290.03895 180.6
[M]- 290.04005 180.6
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.