CID 145024

2-chloro-4-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H4ClFO
SMILES
C1=CC(=C(C=C1F)Cl)C=O
InChI
InChI=1S/C7H4ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
InChIKey
KMQWNQKESAHDKD-UHFFFAOYSA-N
Compound name
2-chloro-4-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1884
Patents

157.99347 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.000746 123.1
[M+Na]+ 180.982688 134.4
[M-H]- 156.986194 126.2
[M+NH4]+ 176.027293 145.5
[M+K]+ 196.956628 130.6
[M+H-H2O]+ 140.990730 118.4
[M+HCOO]- 202.991671 143.2
[M+CH3COO]- 217.007321 175.3
[M+Na-2H]- 178.968136 130.3
[M]+ 157.99292142 124.7
[M]- 157.99401858 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe