CID 604723

4-methoxybenzenesulfonic acid

Structural Information

Molecular Formula
C7H8O4S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C7H8O4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey
IWYVYUZADLIDEY-UHFFFAOYSA-N
Compound name
4-methoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3481
Patents

188.01433 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.021606 134.4
[M+Na]+ 211.003548 143.8
[M-H]- 187.007054 137.6
[M+NH4]+ 206.048153 154.0
[M+K]+ 226.977488 141.6
[M+H-H2O]+ 171.011590 129.4
[M+HCOO]- 233.012531 152.5
[M+CH3COO]- 247.028181 174.5
[M+Na-2H]- 208.988996 140.0
[M]+ 188.01378142 138.1
[M]- 188.01487858 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe