CID 18448407

2-[4-(chlorosulfonyl)-2-methylphenoxy]acetic acid

Structural Information

Molecular Formula
C9H9ClO5S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)Cl)OCC(=O)O
InChI
InChI=1S/C9H9ClO5S/c1-6-4-7(16(10,13)14)2-3-8(6)15-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
DCINLXKBUPEILD-UHFFFAOYSA-N
Compound name
2-(4-chlorosulfonyl-2-methylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

263.98593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99321 153.2
[M+Na]+ 286.97515 164.4
[M+NH4]+ 282.01975 159.4
[M+K]+ 302.94909 158.5
[M-H]- 262.97865 152.1
[M+Na-2H]- 284.96060 157.0
[M]+ 263.98538 155.0
[M]- 263.98648 155.0
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