CID 138536

Triisocyanato(methyl)silane

Structural Information

Molecular Formula
C4H3N3O3Si
SMILES
C[Si](N=C=O)(N=C=O)N=C=O
InChI
InChI=1S/C4H3N3O3Si/c1-11(5-2-8,6-3-9)7-4-10/h1H3
InChIKey
DFJSZWHUOKADCX-UHFFFAOYSA-N
Compound name
triisocyanato(methyl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

548
Patents

168.99437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.00165 126.0
[M+Na]+ 191.98359 134.5
[M-H]- 167.98709 130.9
[M+NH4]+ 187.02819 148.0
[M+K]+ 207.95753 135.3
[M+H-H2O]+ 151.99163 120.2
[M+HCOO]- 213.99257 157.9
[M+CH3COO]- 228.00822 185.6
[M+Na-2H]- 189.96904 136.6
[M]+ 168.99382 129.6
[M]- 168.99492 129.6
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