CID 43515924

3,5-dichloro-2-(difluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H4Cl2F2O2
SMILES
C1=C(C=C(C(=C1C=O)OC(F)F)Cl)Cl
InChI
InChI=1S/C8H4Cl2F2O2/c9-5-1-4(3-13)7(6(10)2-5)14-8(11)12/h1-3,8H
InChIKey
YCQQNUKUULYBSX-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-(difluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

239.95564 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96292 137.1
[M+Na]+ 262.94486 149.0
[M-H]- 238.94836 138.4
[M+NH4]+ 257.98946 156.6
[M+K]+ 278.91880 143.9
[M+H-H2O]+ 222.95290 132.1
[M+HCOO]- 284.95384 150.1
[M+CH3COO]- 298.96949 189.7
[M+Na-2H]- 260.93031 140.6
[M]+ 239.95509 140.3
[M]- 239.95619 140.3
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