CID 17750715

2,3-dichloro-6-(trifluoromethyl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

241.95131 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.95859 137.8
[M+Na]+ 264.94053 150.4
[M-H]- 240.94403 137.9
[M+NH4]+ 259.98513 157.3
[M+K]+ 280.91447 144.4
[M+H-H2O]+ 224.94857 132.2
[M+HCOO]- 286.94951 148.8
[M+CH3COO]- 300.96516 189.3
[M+Na-2H]- 262.92598 142.4
[M]+ 241.95076 138.3
[M]- 241.95186 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