CID 85671835

145742-61-6

Structural Information

Molecular Formula
C9H5F5O3
SMILES
C1=CC(=C(C=C1OC(F)(F)F)C=O)OC(F)F
InChI
InChI=1S/C9H5F5O3/c10-8(11)16-7-2-1-6(3-5(7)4-15)17-9(12,13)14/h1-4,8H
InChIKey
GHSRPZAZDOGAAC-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-5-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0159 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02318 145.1
[M+Na]+ 279.00512 155.0
[M-H]- 255.00862 142.8
[M+NH4]+ 274.04972 162.1
[M+K]+ 294.97906 152.8
[M+H-H2O]+ 239.01316 135.3
[M+HCOO]- 301.01410 162.6
[M+CH3COO]- 315.02975 193.3
[M+Na-2H]- 276.99057 148.5
[M]+ 256.01535 142.1
[M]- 256.01645 142.1
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

No patent data available for this compound.