CID 2735968

2,3-dichlorobenzoyl cyanide

Structural Information

Molecular Formula
C8H3Cl2NO
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(=O)C#N
InChI
InChI=1S/C8H3Cl2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H
InChIKey
FIBBFBXFASKAON-UHFFFAOYSA-N
Compound name
2,3-dichlorobenzoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

198.95917 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.96645 137.3
[M+Na]+ 221.94839 150.3
[M-H]- 197.95189 140.7
[M+NH4]+ 216.99299 156.2
[M+K]+ 237.92233 144.3
[M+H-H2O]+ 181.95643 127.6
[M+HCOO]- 243.95737 149.4
[M+CH3COO]- 257.97302 194.4
[M+Na-2H]- 219.93384 141.9
[M]+ 198.95862 135.5
[M]- 198.95972 135.5
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