CID 53403511

864437-19-4

Structural Information

Molecular Formula
C8H6ClFO
SMILES
C1=CC(=C(C=C1F)Cl)CC=O
InChI
InChI=1S/C8H6ClFO/c9-8-5-7(10)2-1-6(8)3-4-11/h1-2,4-5H,3H2
InChIKey
VXCOWTCRKHIKCQ-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-fluorophenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

172.00912 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01640 129.6
[M+Na]+ 194.99834 143.8
[M+NH4]+ 190.04294 138.6
[M+K]+ 210.97228 136.1
[M-H]- 171.00184 130.8
[M+Na-2H]- 192.98379 137.1
[M]+ 172.00857 132.2
[M]- 172.00967 132.2
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

patents stripe