CID 145874515

2375267-52-8

Structural Information

Molecular Formula
C8H8ClFO3S
SMILES
COC1=CC(=C(C=C1)S(=O)(=O)F)CCl
InChI
InChI=1S/C8H8ClFO3S/c1-13-7-2-3-8(14(10,11)12)6(4-7)5-9/h2-4H,5H2,1H3
InChIKey
OPWRJLVTFIVFBM-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.98666 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99394 141.6
[M+Na]+ 260.97588 152.7
[M-H]- 236.97938 145.1
[M+NH4]+ 256.02048 161.2
[M+K]+ 276.94982 148.5
[M+H-H2O]+ 220.98392 136.6
[M+HCOO]- 282.98486 155.1
[M+CH3COO]- 297.00051 185.7
[M+Na-2H]- 258.96133 145.6
[M]+ 237.98611 147.3
[M]- 237.98721 147.3
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.