CID 14793912

2,3-dichloro-4-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C8H3Cl2F3O
SMILES
C1=CC(=C(C(=C1C=O)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C8H3Cl2F3O/c9-6-4(3-14)1-2-5(7(6)10)8(11,12)13/h1-3H
InChIKey
ZHKISGVSWWUHST-UHFFFAOYSA-N
Compound name
2,3-dichloro-4-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

241.95131 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.958586 137.8
[M+Na]+ 264.940528 150.4
[M-H]- 240.944034 137.9
[M+NH4]+ 259.985133 157.3
[M+K]+ 280.914468 144.4
[M+H-H2O]+ 224.948570 132.2
[M+HCOO]- 286.949511 148.8
[M+CH3COO]- 300.965161 189.3
[M+Na-2H]- 262.925976 142.4
[M]+ 241.95076142 138.3
[M]- 241.95185858 138.3
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