CID 522929

2-fluoro-4-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C8H4F4O
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)C=O
InChI
InChI=1S/C8H4F4O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChIKey
KFEHNXLFIGPWNB-UHFFFAOYSA-N
Compound name
2-fluoro-4-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1106
Patents

192.01982 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02710 146.5
[M+Na]+ 215.00904 155.3
[M+NH4]+ 210.05364 151.4
[M+K]+ 230.98298 149.9
[M-H]- 191.01254 142.3
[M+Na-2H]- 212.99449 149.9
[M]+ 192.01927 146.3
[M]- 192.02037 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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