CID 110409

2-propenal, 3-chloro-3-(2-nitrophenyl)-

Structural Information

Molecular Formula
C9H6ClNO3
SMILES
C1=CC=C(C(=C1)C(=CC=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H6ClNO3/c10-8(5-6-12)7-3-1-2-4-9(7)11(13)14/h1-6H
InChIKey
IGKCDUQXBMHKHG-UHFFFAOYSA-N
Compound name
3-chloro-3-(2-nitrophenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.00362 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01090 139.7
[M+Na]+ 233.99284 153.7
[M+NH4]+ 229.03744 147.7
[M+K]+ 249.96678 149.6
[M-H]- 209.99634 142.4
[M+Na-2H]- 231.97829 146.1
[M]+ 211.00307 142.5
[M]- 211.00417 142.5
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