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]+ 199.966446 136.2
[M+Na]+ 221.948388 150.3
[M-H]- 197.951894 139.9
[M+NH4]+ 216.992993 155.4
[M+K]+ 237.922328 144.1
[M+H-H2O]+ 181.956430 126.7
[M+HCOO]- 243.957371 149.2
[M+CH3COO]- 257.973021 194.7
[M+Na-2H]- 219.933836 141.4
[M]+ 198.95862142 135.2
[M]- 198.95971858 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.