CID 70649

1078-96-2

Structural Information

Molecular Formula
C10H11Cl2NSi
SMILES
C1=CC=C(C=C1)[Si](CCCC#N)(Cl)Cl
InChI
InChI=1S/C10H11Cl2NSi/c11-14(12,9-5-4-8-13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2
InChIKey
NNDVJVQRHQFKNA-UHFFFAOYSA-N
Compound name
4-[dichloro(phenyl)silyl]butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

243.00378 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.011056 153.3
[M+Na]+ 265.992998 164.0
[M-H]- 241.996504 155.6
[M+NH4]+ 261.037603 170.8
[M+K]+ 281.966938 157.0
[M+H-H2O]+ 226.001040 142.6
[M+HCOO]- 288.001981 163.4
[M+CH3COO]- 302.017631 199.2
[M+Na-2H]- 263.978446 158.8
[M]+ 243.00323142 151.1
[M]- 243.00432858 151.1
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

patents stripe