CID 130017994

4-amino-3,5-difluorobenzene-1-sulfonic acid hydrochloride

Structural Information

Molecular Formula
C6H5F2NO3S
SMILES
C1=C(C=C(C(=C1F)N)F)S(=O)(=O)O
InChI
InChI=1S/C6H5F2NO3S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H,10,11,12)
InChIKey
NWPLKFSUZUCZOD-UHFFFAOYSA-N
Compound name
4-amino-3,5-difluorobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.99582 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.00310 134.6
[M+Na]+ 231.98504 145.2
[M-H]- 207.98854 135.0
[M+NH4]+ 227.02964 153.1
[M+K]+ 247.95898 141.3
[M+H-H2O]+ 191.99308 127.9
[M+HCOO]- 253.99402 150.8
[M+CH3COO]- 268.00967 181.6
[M+Na-2H]- 229.97049 137.5
[M]+ 208.99527 133.0
[M]- 208.99637 133.0
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