CID 165868721

4-amino-2,6-difluorobenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H4F3NO2S
SMILES
C1=C(C=C(C(=C1F)S(=O)(=O)F)F)N
InChI
InChI=1S/C6H4F3NO2S/c7-4-1-3(10)2-5(8)6(4)13(9,11)12/h1-2H,10H2
InChIKey
BLOSUIBLMSKKLM-UHFFFAOYSA-N
Compound name
4-amino-2,6-difluorobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.99149 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.998766 133.2
[M+Na]+ 233.980708 144.5
[M-H]- 209.984214 133.7
[M+NH4]+ 229.025313 152.4
[M+K]+ 249.954648 140.6
[M+H-H2O]+ 193.988750 125.5
[M+HCOO]- 255.989691 149.6
[M+CH3COO]- 270.005341 184.8
[M+Na-2H]- 231.966156 135.9
[M]+ 210.99094142 130.9
[M]- 210.99203858 130.9
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