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

2
Patents

274.96307 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.97035 146.8
[M+Na]+ 297.95229 157.6
[M-H]- 273.95579 147.1
[M+NH4]+ 292.99689 164.0
[M+K]+ 313.92623 152.8
[M+H-H2O]+ 257.96033 140.0
[M+HCOO]- 319.96127 157.3
[M+CH3COO]- 333.97692 192.2
[M+Na-2H]- 295.93774 150.6
[M]+ 274.96252 147.3
[M]- 274.96362 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