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

53
Patents

263.98593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99321 149.6
[M+Na]+ 286.97515 159.0
[M-H]- 262.97865 154.1
[M+NH4]+ 282.01975 167.6
[M+K]+ 302.94909 156.1
[M+H-H2O]+ 246.98319 145.0
[M+HCOO]- 308.98413 163.6
[M+CH3COO]- 322.99978 188.3
[M+Na-2H]- 284.96060 153.6
[M]+ 263.98538 157.9
[M]- 263.98648 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