CID 605686

3-fluoro-5-(trifluoromethyl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3820
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

No literature data available for this compound.

Patent stripe

patents stripe