CID 3735177

3-chloro-2,4-difluorobenzaldehyde

Structural Information

Molecular Formula
C7H3ClF2O
SMILES
C1=CC(=C(C(=C1C=O)F)Cl)F
InChI
InChI=1S/C7H3ClF2O/c8-6-5(9)2-1-4(3-11)7(6)10/h1-3H
InChIKey
PDBQQCWWJXDNJO-UHFFFAOYSA-N
Compound name
3-chloro-2,4-difluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

175.98405 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99133 129.4
[M+Na]+ 198.97327 142.8
[M+NH4]+ 194.01787 137.4
[M+K]+ 214.94721 135.8
[M-H]- 174.97677 129.0
[M+Na-2H]- 196.95872 135.9
[M]+ 175.98350 131.4
[M]- 175.98460 131.4
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