CID 2737537

3-fluoro-4-(trifluoromethyl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

646
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

patents stripe