CID 521933

2-fluoro-6-(trifluoromethyl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

511
Patents

192.01982 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.027096 131.1
[M+Na]+ 215.009038 141.8
[M-H]- 191.012544 130.4
[M+NH4]+ 210.053643 151.0
[M+K]+ 230.982978 138.8
[M+H-H2O]+ 175.017080 122.9
[M+HCOO]- 237.018021 150.5
[M+CH3COO]- 251.033671 182.6
[M+Na-2H]- 212.994486 136.8
[M]+ 192.01927142 126.7
[M]- 192.02036858 126.7
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