CID 135493979

Nsc686482

Structural Information

Molecular Formula
C4H4N4O4S2
SMILES
C1(=C(S/C(=N\O)/C(=N/O)/S1)N=O)NO
InChI
InChI=1S/C4H4N4O4S2/c9-5-1-2(6-10)14-4(8-12)3(7-11)13-1/h5,9,11-12H/b7-3-,8-4-
InChIKey
QQYTXHCUIMDIPN-VHOZIDCHSA-N
Compound name
N-[(5Z,6Z)-5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.96739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97467 139.3
[M+Na]+ 258.95661 147.5
[M-H]- 234.96011 143.0
[M+NH4]+ 254.00121 156.0
[M+K]+ 274.93055 143.0
[M+H-H2O]+ 218.96465 131.8
[M+HCOO]- 280.96559 158.5
[M+CH3COO]- 294.98124 193.6
[M+Na-2H]- 256.94206 145.0
[M]+ 235.96684 141.0
[M]- 235.96794 141.0
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.