CID 306443

4-chloro-n-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C13H8Cl2F3NO2S
SMILES
C1=CC(=CC=C1S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C13H8Cl2F3NO2S/c14-9-2-4-10(5-3-9)22(20,21)19-12-7-8(13(16,17)18)1-6-11(12)15/h1-7,19H
InChIKey
KZSIKDZBNOIEGV-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.96048 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.96776 170.5
[M+Na]+ 391.94970 181.6
[M-H]- 367.95320 173.8
[M+NH4]+ 386.99430 184.7
[M+K]+ 407.92364 173.8
[M+H-H2O]+ 351.95774 162.9
[M+HCOO]- 413.95868 176.1
[M+CH3COO]- 427.97433 209.8
[M+Na-2H]- 389.93515 173.6
[M]+ 368.95993 172.5
[M]- 368.96103 172.5
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