CID 2737807

2,5-bis(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C9H4F6O
SMILES
C1=CC(=C(C=C1C(F)(F)F)C=O)C(F)(F)F
InChI
InChI=1S/C9H4F6O/c10-8(11,12)6-1-2-7(9(13,14)15)5(3-6)4-16/h1-4H
InChIKey
PICGJIQKPLBIES-UHFFFAOYSA-N
Compound name
2,5-bis(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

242.01663 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02391 166.3
[M+Na]+ 265.00585 171.8
[M+NH4]+ 260.05045 168.6
[M+K]+ 280.97979 167.4
[M-H]- 241.00935 159.7
[M+Na-2H]- 262.99130 167.0
[M]+ 242.01608 164.9
[M]- 242.01718 164.9
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