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

1
Patents

238.0253 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03258 142.1
[M+Na]+ 261.01452 151.2
[M-H]- 237.01802 140.9
[M+NH4]+ 256.05912 159.7
[M+K]+ 276.98846 149.5
[M+H-H2O]+ 221.02256 132.7
[M+HCOO]- 283.02350 161.2
[M+CH3COO]- 297.03915 191.6
[M+Na-2H]- 258.99997 144.1
[M]+ 238.02475 140.4
[M]- 238.02585 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