CID 19995593

2,6-difluoro-4-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C8H3F5O
SMILES
C1=C(C=C(C(=C1F)C=O)F)C(F)(F)F
InChI
InChI=1S/C8H3F5O/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-3H
InChIKey
SEBPODPGYAOCAN-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

210.0104 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.017676 133.4
[M+Na]+ 232.999618 145.1
[M-H]- 209.003124 131.7
[M+NH4]+ 228.044223 152.8
[M+K]+ 248.973558 141.7
[M+H-H2O]+ 193.007660 124.5
[M+HCOO]- 255.008601 151.8
[M+CH3COO]- 269.024251 186.7
[M+Na-2H]- 230.985066 137.8
[M]+ 210.00985142 128.2
[M]- 210.01094858 128.2
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