CID 137935407

2,4-dichloro-6-formylbenzonitrile

Structural Information

Molecular Formula
C8H3Cl2NO
SMILES
C1=C(C=C(C(=C1C=O)C#N)Cl)Cl
InChI
InChI=1S/C8H3Cl2NO/c9-6-1-5(4-12)7(3-11)8(10)2-6/h1-2,4H
InChIKey
SOINUGMGTDCWON-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-formylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.95917 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.96645 136.2
[M+Na]+ 221.94839 150.3
[M-H]- 197.95189 139.9
[M+NH4]+ 216.99299 155.4
[M+K]+ 237.92233 144.1
[M+H-H2O]+ 181.95643 126.7
[M+HCOO]- 243.95737 149.2
[M+CH3COO]- 257.97302 194.7
[M+Na-2H]- 219.93384 141.4
[M]+ 198.95862 135.2
[M]- 198.95972 135.2
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.