CID 2736862

2,4-dichloro-1-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H3Cl2F3O
SMILES
C1=CC(=C(C=C1Cl)Cl)OC(F)(F)F
InChI
InChI=1S/C7H3Cl2F3O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChIKey
JYGSLPHFBUKVNC-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

229.95131 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95859 134.7
[M+Na]+ 252.94053 146.6
[M-H]- 228.94403 134.6
[M+NH4]+ 247.98513 154.5
[M+K]+ 268.91447 141.3
[M+H-H2O]+ 212.94857 129.0
[M+HCOO]- 274.94951 145.9
[M+CH3COO]- 288.96516 186.2
[M+Na-2H]- 250.92598 140.5
[M]+ 229.95076 135.2
[M]- 229.95186 135.2
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