CID 2734839

3-chloro-5-fluorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
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

No literature data available for this compound.

Patent stripe

patents stripe