CID 2762578

4-azidotetrafluorobenzoic acid

Structural Information

Molecular Formula
C7HF4N3O2
SMILES
C1(=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F)C(=O)O
InChI
InChI=1S/C7HF4N3O2/c8-2-1(7(15)16)3(9)5(11)6(4(2)10)13-14-12/h(H,15,16)
InChIKey
IOJFHZXQSLNAQJ-UHFFFAOYSA-N
Compound name
4-azido-2,3,5,6-tetrafluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1492
Patents

235.00049 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00777 136.7
[M+Na]+ 257.98971 147.7
[M-H]- 233.99321 137.9
[M+NH4]+ 253.03431 154.5
[M+K]+ 273.96365 140.3
[M+H-H2O]+ 217.99775 131.9
[M+HCOO]- 279.99869 162.4
[M+CH3COO]- 294.01434 193.2
[M+Na-2H]- 255.97516 142.2
[M]+ 234.99994 130.7
[M]- 235.00104 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe