CID 66570505

2-chloro-3,4-difluorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

175.98405 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.991326 124.8
[M+Na]+ 198.973268 137.0
[M-H]- 174.976774 126.8
[M+NH4]+ 194.017873 146.6
[M+K]+ 214.947208 132.8
[M+H-H2O]+ 158.981310 119.2
[M+HCOO]- 220.982251 143.8
[M+CH3COO]- 234.997901 179.2
[M+Na-2H]- 196.958716 130.6
[M]+ 175.98350142 125.6
[M]- 175.98459858 125.6
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