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

38
Patents

172.00912 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.016396 127.9
[M+Na]+ 194.998338 138.8
[M-H]- 171.001844 130.8
[M+NH4]+ 190.042943 149.7
[M+K]+ 210.972278 134.7
[M+H-H2O]+ 155.006380 122.9
[M+HCOO]- 217.007321 147.7
[M+CH3COO]- 231.022971 178.3
[M+Na-2H]- 192.983786 134.5
[M]+ 172.00857142 129.9
[M]- 172.00966858 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