CID 75409987

1993119-45-1

Structural Information

Molecular Formula
C13H12F4N4O5
SMILES
C(COCCOCC(=O)O)NC(=O)C1=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F
InChI
InChI=1S/C13H12F4N4O5/c14-8-7(9(15)11(17)12(10(8)16)20-21-18)13(24)19-1-2-25-3-4-26-5-6(22)23/h1-5H2,(H,19,24)(H,22,23)
InChIKey
SRPUVUGFIJXTIL-UHFFFAOYSA-N
Compound name
2-[2-[2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.07437 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.08165 175.3
[M+Na]+ 403.06359 182.2
[M-H]- 379.06709 175.2
[M+NH4]+ 398.10819 186.3
[M+K]+ 419.03753 175.0
[M+H-H2O]+ 363.07163 168.1
[M+HCOO]- 425.07257 199.6
[M+CH3COO]- 439.08822 221.8
[M+Na-2H]- 401.04904 177.6
[M]+ 380.07382 173.1
[M]- 380.07492 173.1
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

No patent data available for this compound.