CID 61000969

477259-57-7

Structural Information

Molecular Formula
C11H11ClF3NO3S
SMILES
C1=CC(=CC=C1CCCNC(=O)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C11H11ClF3NO3S/c12-20(18,19)9-5-3-8(4-6-9)2-1-7-16-10(17)11(13,14)15/h3-6H,1-2,7H2,(H,16,17)
InChIKey
WXTPYQXMRLGPJW-UHFFFAOYSA-N
Compound name
4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

329.01004 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.01732 168.4
[M+Na]+ 351.99926 175.0
[M+NH4]+ 347.04386 172.1
[M+K]+ 367.97320 169.5
[M-H]- 328.00276 163.6
[M+Na-2H]- 349.98471 170.4
[M]+ 329.00949 168.2
[M]- 329.01059 168.2
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