CID 129601760

2,4-difluoro-3-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H3F5O2
SMILES
C1=CC(=C(C(=C1C=O)F)OC(F)(F)F)F
InChI
InChI=1S/C8H3F5O2/c9-5-2-1-4(3-14)6(10)7(5)15-8(11,12)13/h1-3H
InChIKey
XPVMCNNIRWNZCS-UHFFFAOYSA-N
Compound name
2,4-difluoro-3-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.00533 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01261 136.8
[M+Na]+ 248.99455 148.4
[M-H]- 224.99805 135.1
[M+NH4]+ 244.03915 155.5
[M+K]+ 264.96849 145.5
[M+H-H2O]+ 209.00259 127.6
[M+HCOO]- 271.00353 155.4
[M+CH3COO]- 285.01918 188.7
[M+Na-2H]- 246.98000 141.2
[M]+ 226.00478 133.0
[M]- 226.00588 133.0
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.