CID 75488616

(5-methanesulfonyl-2-methoxyphenyl)methanol

Structural Information

Molecular Formula
C9H12O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)C)CO
InChI
InChI=1S/C9H12O4S/c1-13-9-4-3-8(14(2,11)12)5-7(9)6-10/h3-5,10H,6H2,1-2H3
InChIKey
DFLMXZOSHCZHAX-UHFFFAOYSA-N
Compound name
(2-methoxy-5-methylsulfonylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

216.04562 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05290 142.6
[M+Na]+ 239.03484 151.9
[M-H]- 215.03834 145.7
[M+NH4]+ 234.07944 161.4
[M+K]+ 255.00878 149.3
[M+H-H2O]+ 199.04288 137.4
[M+HCOO]- 261.04382 160.0
[M+CH3COO]- 275.05947 181.7
[M+Na-2H]- 237.02029 146.6
[M]+ 216.04507 147.4
[M]- 216.04617 147.4
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