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

3856
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

No literature data available for this compound.

Patent stripe

patents stripe