CID 2996308

842117-21-9

Structural Information

Molecular Formula
C15H11ClF3NOS
SMILES
CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C15H11ClF3NOS/c1-22-9-6-7-12(16)10(8-9)14(21)20-13-5-3-2-4-11(13)15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKey
XTRVDNZLDKNEDJ-UHFFFAOYSA-N
Compound name
2-chloro-5-methylsulfanyl-N-[2-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0202 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.02748 170.3
[M+Na]+ 368.00942 179.8
[M-H]- 344.01292 173.6
[M+NH4]+ 363.05402 185.1
[M+K]+ 383.98336 172.5
[M+H-H2O]+ 328.01746 161.4
[M+HCOO]- 390.01840 180.4
[M+CH3COO]- 404.03405 209.8
[M+Na-2H]- 365.99487 170.9
[M]+ 345.01965 171.0
[M]- 345.02075 171.0
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

No patent data available for this compound.