CID 53403511

2-(2-chloro-4-fluorophenyl)acetaldehyde

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

44
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 127.9
[M+Na]+ 194.99834 138.8
[M-H]- 171.00184 130.8
[M+NH4]+ 190.04294 149.7
[M+K]+ 210.97228 134.7
[M+H-H2O]+ 155.00638 122.9
[M+HCOO]- 217.00732 147.7
[M+CH3COO]- 231.02297 178.3
[M+Na-2H]- 192.98379 134.5
[M]+ 172.00857 129.9
[M]- 172.00967 129.9
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