CID 62104418

5-chloro-2-(oxan-2-ylmethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H14Cl2O4S
SMILES
C1CCOC(C1)COC2=C(C=C(C=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C12H14Cl2O4S/c13-9-4-5-11(12(7-9)19(14,15)16)18-8-10-3-1-2-6-17-10/h4-5,7,10H,1-3,6,8H2
InChIKey
FANRFUXTQYAXQR-UHFFFAOYSA-N
Compound name
5-chloro-2-(oxan-2-ylmethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.999 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.00628 167.5
[M+Na]+ 346.98822 180.5
[M+NH4]+ 342.03282 175.6
[M+K]+ 362.96216 172.1
[M-H]- 322.99172 171.2
[M+Na-2H]- 344.97367 173.2
[M]+ 323.99845 171.5
[M]- 323.99955 171.5
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.