CID 165997548

Ethyl 5-amino-2-[(fluorosulfonyl)oxy]benzoate

Structural Information

Molecular Formula
C9H10FNO5S
SMILES
CCOC(=O)C1=C(C=CC(=C1)N)OS(=O)(=O)F
InChI
InChI=1S/C9H10FNO5S/c1-2-15-9(12)7-5-6(11)3-4-8(7)16-17(10,13)14/h3-5H,2,11H2,1H3
InChIKey
VAQCGRSAVMUXGW-UHFFFAOYSA-N
Compound name
ethyl 5-amino-2-fluorosulfonyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.02637 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.03365 151.2
[M+Na]+ 286.01559 159.7
[M-H]- 262.01909 153.6
[M+NH4]+ 281.06019 167.7
[M+K]+ 301.98953 157.6
[M+H-H2O]+ 246.02363 144.1
[M+HCOO]- 308.02457 168.7
[M+CH3COO]- 322.04022 192.9
[M+Na-2H]- 284.00104 153.7
[M]+ 263.02582 154.9
[M]- 263.02692 154.9
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

No patent data available for this compound.