CID 22479292

Methyl 2-(4-(chlorosulfonyl)phenoxy)acetate

Structural Information

Molecular Formula
C9H9ClO5S
SMILES
COC(=O)COC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO5S/c1-14-9(11)6-15-7-2-4-8(5-3-7)16(10,12)13/h2-5H,6H2,1H3
InChIKey
ISHZBFTYSQSGBF-UHFFFAOYSA-N
Compound name
methyl 2-(4-chlorosulfonylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

263.98593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.993206 149.6
[M+Na]+ 286.975148 159.0
[M-H]- 262.978654 154.1
[M+NH4]+ 282.019753 167.6
[M+K]+ 302.949088 156.1
[M+H-H2O]+ 246.983190 145.0
[M+HCOO]- 308.984131 163.6
[M+CH3COO]- 322.999781 188.3
[M+Na-2H]- 284.960596 153.6
[M]+ 263.98538142 157.9
[M]- 263.98647858 157.9
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