CID 86767840

2-chloro-5-iodobenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H5ClINO2S
SMILES
C1=CC(=C(C=C1I)S(=O)(=O)N)Cl
InChI
InChI=1S/C6H5ClINO2S/c7-5-2-1-4(8)3-6(5)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey
ZVZMGKSBFBJPNR-UHFFFAOYSA-N
Compound name
2-chloro-5-iodobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

316.8774 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.88468 150.3
[M+Na]+ 339.86662 153.7
[M-H]- 315.87012 147.5
[M+NH4]+ 334.91122 165.3
[M+K]+ 355.84056 155.0
[M+H-H2O]+ 299.87466 142.3
[M+HCOO]- 361.87560 160.4
[M+CH3COO]- 375.89125 190.4
[M+Na-2H]- 337.85207 142.1
[M]+ 316.87685 150.2
[M]- 316.87795 150.2
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