CID 66570572

2-chloro-4-(trifluoromethoxy)benzenesulfonamide

Structural Information

Molecular Formula
C7H5ClF3NO3S
SMILES
C1=CC(=C(C=C1OC(F)(F)F)Cl)S(=O)(=O)N
InChI
InChI=1S/C7H5ClF3NO3S/c8-5-3-4(15-7(9,10)11)1-2-6(5)16(12,13)14/h1-3H,(H2,12,13,14)
InChIKey
NFWWJHZAASEUQE-UHFFFAOYSA-N
Compound name
2-chloro-4-(trifluoromethoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.96307 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.970346 146.8
[M+Na]+ 297.952288 157.6
[M-H]- 273.955794 147.1
[M+NH4]+ 292.996893 164.0
[M+K]+ 313.926228 152.8
[M+H-H2O]+ 257.960330 140.0
[M+HCOO]- 319.961271 157.3
[M+CH3COO]- 333.976921 192.2
[M+Na-2H]- 295.937736 150.6
[M]+ 274.96252142 147.3
[M]- 274.96361858 147.3
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