CID 142521958

4-(azidosulfonyl)-2,3,5,6-tetrafluorobenzoic acid

Structural Information

Molecular Formula
C7HF4N3O4S
SMILES
C1(=C(C(=C(C(=C1F)F)S(=O)(=O)N=[N+]=[N-])F)F)C(=O)O
InChI
InChI=1S/C7HF4N3O4S/c8-2-1(7(15)16)3(9)5(11)6(4(2)10)19(17,18)14-13-12/h(H,15,16)
InChIKey
GPNZIFZDTAEUDN-UHFFFAOYSA-N
Compound name
4-azidosulfonyl-2,3,5,6-tetrafluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.9624 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.969676 147.4
[M+Na]+ 321.951618 157.9
[M-H]- 297.955124 148.4
[M+NH4]+ 316.996223 162.4
[M+K]+ 337.925558 149.2
[M+H-H2O]+ 281.959660 142.1
[M+HCOO]- 343.960601 166.5
[M+CH3COO]- 357.976251 199.5
[M+Na-2H]- 319.937066 152.1
[M]+ 298.96185142 143.5
[M]- 298.96294858 143.5
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