CID 277716

4-amino-3-iodobenzene-1-sulfonylfluoride

Structural Information

Molecular Formula
C6H5FINO2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)F)I)N
InChI
InChI=1S/C6H5FINO2S/c7-12(10,11)4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey
YSRXPPRYBFSBFC-UHFFFAOYSA-N
Compound name
4-amino-3-iodobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.90698 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.91426 147.7
[M+Na]+ 323.89620 150.5
[M-H]- 299.89970 143.5
[M+NH4]+ 318.94080 162.3
[M+K]+ 339.87014 153.0
[M+H-H2O]+ 283.90424 137.7
[M+HCOO]- 345.90518 161.0
[M+CH3COO]- 359.92083 189.4
[M+Na-2H]- 321.88165 139.2
[M]+ 300.90643 144.7
[M]- 300.90753 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

No patent data available for this compound.