CID 22007190

3-formyl-4-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H7ClO4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)Cl)C=O
InChI
InChI=1S/C8H7ClO4S/c1-13-8-3-2-7(14(9,11)12)4-6(8)5-10/h2-5H,1H3
InChIKey
GVTGQNYTTLKHTK-UHFFFAOYSA-N
Compound name
3-formyl-4-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

233.97536 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.982636 141.8
[M+Na]+ 256.964578 153.0
[M-H]- 232.968084 146.8
[M+NH4]+ 252.009183 161.4
[M+K]+ 272.938518 149.2
[M+H-H2O]+ 216.972620 137.7
[M+HCOO]- 278.973561 156.8
[M+CH3COO]- 292.989211 184.2
[M+Na-2H]- 254.950026 146.5
[M]+ 233.97481142 149.3
[M]- 233.97590858 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe