CID 137949483

2169623-60-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.92084 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.928116 133.5
[M+Na]+ 275.910058 147.1
[M-H]- 251.913564 139.0
[M+NH4]+ 270.954663 154.5
[M+K]+ 291.883998 134.6
[M+H-H2O]+ 235.918100 133.0
[M+HCOO]- 297.919041 150.0
[M+CH3COO]- 311.934691 188.2
[M+Na-2H]- 273.895506 139.7
[M]+ 252.92029142 151.8
[M]- 252.92138858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.