CID 62104418

1284357-82-9

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 165.0
[M+Na]+ 346.98822 172.9
[M-H]- 322.99172 172.0
[M+NH4]+ 342.03282 179.8
[M+K]+ 362.96216 169.2
[M+H-H2O]+ 306.99626 160.3
[M+HCOO]- 368.99720 170.2
[M+CH3COO]- 383.01285 198.4
[M+Na-2H]- 344.97367 167.9
[M]+ 323.99845 169.8
[M]- 323.99955 169.8
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.