CID 22379758

1260890-79-6

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

10
Patents

256.0323 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.039576 146.9
[M+Na]+ 279.021518 157.4
[M-H]- 255.025024 143.5
[M+NH4]+ 274.066123 164.2
[M+K]+ 294.995458 153.4
[M+H-H2O]+ 239.029560 136.9
[M+HCOO]- 301.030501 161.9
[M+CH3COO]- 315.046151 194.2
[M+Na-2H]- 277.006966 151.0
[M]+ 256.03175142 140.0
[M]- 256.03284858 140.0
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