CID 19818513

2-chloro-4-formylbenzonitrile

Structural Information

Molecular Formula
C8H4ClNO
SMILES
C1=CC(=C(C=C1C=O)Cl)C#N
InChI
InChI=1S/C8H4ClNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,5H
InChIKey
GZELPDCDUYPUTD-UHFFFAOYSA-N
Compound name
2-chloro-4-formylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

164.99814 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.00542 130.7
[M+Na]+ 187.98736 143.5
[M-H]- 163.99086 134.7
[M+NH4]+ 183.03196 150.5
[M+K]+ 203.96130 138.7
[M+H-H2O]+ 147.99540 120.1
[M+HCOO]- 209.99634 148.3
[M+CH3COO]- 224.01199 189.5
[M+Na-2H]- 185.97281 137.2
[M]+ 164.99759 128.4
[M]- 164.99869 128.4
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