CID 514861

Benzene, 1,2-dichloro-4-(4-((trifluoromethyl)sulfonyl)phenoxy)-

Structural Information

Molecular Formula
C13H7Cl2F3O3S
SMILES
C1=CC(=CC=C1OC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C13H7Cl2F3O3S/c14-11-6-3-9(7-12(11)15)21-8-1-4-10(5-2-8)22(19,20)13(16,17)18/h1-7H
InChIKey
GQAJAJXYXHDZLN-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

369.94452 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.95180 168.6
[M+Na]+ 392.93374 180.4
[M-H]- 368.93724 172.2
[M+NH4]+ 387.97834 183.1
[M+K]+ 408.90768 173.5
[M+H-H2O]+ 352.94178 161.1
[M+HCOO]- 414.94272 173.6
[M+CH3COO]- 428.95837 207.0
[M+Na-2H]- 390.91919 171.5
[M]+ 369.94397 172.7
[M]- 369.94507 172.7
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