CID 60999759

3-chloro-4-(2,2,2-trifluoroacetamido)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H4Cl2F3NO3S
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)NC(=O)C(F)(F)F
InChI
InChI=1S/C8H4Cl2F3NO3S/c9-5-3-4(18(10,16)17)1-2-6(5)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChIKey
NZZVIISZKMELCU-UHFFFAOYSA-N
Compound name
3-chloro-4-[(2,2,2-trifluoroacetyl)amino]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.9241 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.93138 153.6
[M+Na]+ 343.91332 164.2
[M-H]- 319.91682 154.1
[M+NH4]+ 338.95792 169.6
[M+K]+ 359.88726 158.3
[M+H-H2O]+ 303.92136 147.8
[M+HCOO]- 365.92230 158.8
[M+CH3COO]- 379.93795 199.5
[M+Na-2H]- 341.89877 156.5
[M]+ 320.92355 155.4
[M]- 320.92465 155.4
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.