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

2
Patents

298.9624 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.96968 147.4
[M+Na]+ 321.95162 157.9
[M-H]- 297.95512 148.4
[M+NH4]+ 316.99622 162.4
[M+K]+ 337.92556 149.2
[M+H-H2O]+ 281.95966 142.1
[M+HCOO]- 343.96060 166.5
[M+CH3COO]- 357.97625 199.5
[M+Na-2H]- 319.93707 152.1
[M]+ 298.96185 143.5
[M]- 298.96295 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