CID 22379758

2-(2,4-bis(trifluoromethyl)phenyl)acetaldehyde

Structural Information

Molecular Formula
C10H6F6O
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CC=O
InChI
InChI=1S/C10H6F6O/c11-9(12,13)7-2-1-6(3-4-17)8(5-7)10(14,15)16/h1-2,4-5H,3H2
InChIKey
FEHFHIOMFVCFTG-UHFFFAOYSA-N
Compound name
2-[2,4-bis(trifluoromethyl)phenyl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

256.0323 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03958 169.5
[M+Na]+ 279.02152 174.9
[M+NH4]+ 274.06612 171.7
[M+K]+ 294.99546 170.2
[M-H]- 255.02502 162.9
[M+Na-2H]- 277.00697 170.0
[M]+ 256.03175 168.0
[M]- 256.03285 168.0
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

patents stripe