CID 77898

Sulfuryl diisocyanate

Structural Information

Molecular Formula
C2N2O4S
SMILES
C(=NS(=O)(=O)N=C=O)=O
InChI
InChI=1S/C2N2O4S/c5-1-3-9(7,8)4-2-6
InChIKey
BUXTXUBQAKIQKS-UHFFFAOYSA-N
Compound name
sulfuryl diisocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5380
Patents

147.95787 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.965146 121.2
[M+Na]+ 170.947088 130.9
[M-H]- 146.950594 125.1
[M+NH4]+ 165.991693 143.3
[M+K]+ 186.921028 130.5
[M+H-H2O]+ 130.955130 115.8
[M+HCOO]- 192.956071 146.1
[M+CH3COO]- 206.971721 175.4
[M+Na-2H]- 168.932536 129.2
[M]+ 147.95732142 125.9
[M]- 147.95841858 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe