CID 18930966

4-amino-3-bromobenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H5BrFNO2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)F)Br)N
InChI
InChI=1S/C6H5BrFNO2S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3H,9H2
InChIKey
UZACAJVHSLWABY-UHFFFAOYSA-N
Compound name
4-amino-3-bromobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

252.92084 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.92812 133.5
[M+Na]+ 275.91006 147.1
[M-H]- 251.91356 139.0
[M+NH4]+ 270.95466 154.5
[M+K]+ 291.88400 134.6
[M+H-H2O]+ 235.91810 133.0
[M+HCOO]- 297.91904 150.0
[M+CH3COO]- 311.93469 188.2
[M+Na-2H]- 273.89551 139.7
[M]+ 252.92029 151.8
[M]- 252.92139 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe