CID 210099

2-chloro-4-(methylsulfonyl)phenol

Structural Information

Molecular Formula
C7H7ClO3S
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)O)Cl
InChI
InChI=1S/C7H7ClO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey
NKCJTSDDCIJRLT-UHFFFAOYSA-N
Compound name
2-chloro-4-methylsulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

205.98044 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.98772 135.5
[M+Na]+ 228.96966 146.6
[M-H]- 204.97316 139.2
[M+NH4]+ 224.01426 155.7
[M+K]+ 244.94360 142.2
[M+H-H2O]+ 188.97770 132.1
[M+HCOO]- 250.97864 148.9
[M+CH3COO]- 264.99429 177.4
[M+Na-2H]- 226.95511 140.1
[M]+ 205.97989 140.0
[M]- 205.98099 140.0
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

No patent data available for this compound.