CID 12678322

2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanal

Structural Information

Molecular Formula
C12H10F6O
SMILES
CC(C)(C=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C12H10F6O/c1-10(2,6-19)7-3-8(11(13,14)15)5-9(4-7)12(16,17)18/h3-6H,1-2H3
InChIKey
GZQFIIWPKLVIEI-UHFFFAOYSA-N
Compound name
2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

284.0636 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07088 155.6
[M+Na]+ 307.05282 165.7
[M-H]- 283.05632 152.3
[M+NH4]+ 302.09742 171.8
[M+K]+ 323.02676 161.8
[M+H-H2O]+ 267.06086 145.9
[M+HCOO]- 329.06180 168.3
[M+CH3COO]- 343.07745 200.8
[M+Na-2H]- 305.03827 159.7
[M]+ 284.06305 148.7
[M]- 284.06415 148.7
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