CID 4218025

2,4-bis(difluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C9H6F4O3
SMILES
C1=CC(=C(C=C1OC(F)F)OC(F)F)C=O
InChI
InChI=1S/C9H6F4O3/c10-8(11)15-6-2-1-5(4-14)7(3-6)16-9(12)13/h1-4,8-9H
InChIKey
VACUIYCDKQBXCB-UHFFFAOYSA-N
Compound name
2,4-bis(difluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

238.0253 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.032576 142.1
[M+Na]+ 261.014518 151.2
[M-H]- 237.018024 140.9
[M+NH4]+ 256.059123 159.7
[M+K]+ 276.988458 149.5
[M+H-H2O]+ 221.022560 132.7
[M+HCOO]- 283.023501 161.2
[M+CH3COO]- 297.039151 191.6
[M+Na-2H]- 258.999966 144.1
[M]+ 238.02475142 140.4
[M]- 238.02584858 140.4
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