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]+ 253.92812 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.