CID 137698807

1805157-49-6

Structural Information

Molecular Formula
C7H6ClF2NO3S
SMILES
C1=CC(=C(C(=C1)Cl)OC(F)F)S(=O)(=O)N
InChI
InChI=1S/C7H6ClF2NO3S/c8-4-2-1-3-5(15(11,12)13)6(4)14-7(9)10/h1-3,7H,(H2,11,12,13)
InChIKey
GYTQTIIECRUSRD-UHFFFAOYSA-N
Compound name
3-chloro-2-(difluoromethoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9725 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.97978 143.6
[M+Na]+ 279.96172 153.7
[M-H]- 255.96522 145.0
[M+NH4]+ 275.00632 161.4
[M+K]+ 295.93566 149.3
[M+H-H2O]+ 239.96976 137.4
[M+HCOO]- 301.97070 155.6
[M+CH3COO]- 315.98635 190.5
[M+Na-2H]- 277.94717 145.9
[M]+ 256.97195 145.4
[M]- 256.97305 145.4
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.