CID 60728526

2-chloro-n-cyclopropyl-4-fluorobenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H9ClFNO2S
SMILES
C1CC1NS(=O)(=O)C2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C9H9ClFNO2S/c10-8-5-6(11)1-4-9(8)15(13,14)12-7-2-3-7/h1,4-5,7,12H,2-3H2
InChIKey
CXGOLWNNCDQUOJ-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopropyl-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.00266 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00994 139.9
[M+Na]+ 271.99188 150.8
[M-H]- 247.99538 146.5
[M+NH4]+ 267.03648 153.6
[M+K]+ 287.96582 145.1
[M+H-H2O]+ 231.99992 133.6
[M+HCOO]- 294.00086 154.5
[M+CH3COO]- 308.01651 192.9
[M+Na-2H]- 269.97733 144.5
[M]+ 249.00211 144.7
[M]- 249.00321 144.7
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