CID 13328920

95906-13-1

Structural Information

Molecular Formula
C6HF10N3O3
SMILES
C(=O)(C(C(N=[N+]=[N-])(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O
InChI
InChI=1S/C6HF10N3O3/c7-2(1(20)21,5(13,14)18-19-17)22-6(15,16)3(8,9)4(10,11)12/h(H,20,21)
InChIKey
PFAQTZDSOYJCLX-UHFFFAOYSA-N
Compound name
3-azido-2,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

352.9858 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.99308 167.0
[M+Na]+ 375.97502 177.8
[M-H]- 351.97852 177.5
[M+NH4]+ 371.01962 175.6
[M+K]+ 391.94896 176.9
[M+H-H2O]+ 335.98306 152.5
[M+HCOO]- 397.98400 188.0
[M+CH3COO]- 411.99965 209.6
[M+Na-2H]- 373.96047 165.2
[M]+ 352.98525 159.9
[M]- 352.98635 159.9
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