CID 55280879

4-cyano-3-ethoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H8ClNO3S
SMILES
CCOC1=C(C=CC(=C1)S(=O)(=O)Cl)C#N
InChI
InChI=1S/C9H8ClNO3S/c1-2-14-9-5-8(15(10,12)13)4-3-7(9)6-11/h3-5H,2H2,1H3
InChIKey
XIZRNNXWVXSAOI-UHFFFAOYSA-N
Compound name
4-cyano-3-ethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

244.99135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99863 154.7
[M+Na]+ 267.98057 167.2
[M-H]- 243.98407 159.5
[M+NH4]+ 263.02517 172.2
[M+K]+ 283.95451 163.1
[M+H-H2O]+ 227.98861 144.0
[M+HCOO]- 289.98955 166.1
[M+CH3COO]- 304.00520 198.8
[M+Na-2H]- 265.96602 158.0
[M]+ 244.99080 156.0
[M]- 244.99190 156.0
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

patents stripe