CID 71331422

2-methoxynaphthalene-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H9ClO3S
SMILES
COC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C11H9ClO3S/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)16(12,13)14/h2-7H,1H3
InChIKey
CEGNBSMSFPXEET-UHFFFAOYSA-N
Compound name
2-methoxynaphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

255.9961 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.00338 149.1
[M+Na]+ 278.98532 160.4
[M-H]- 254.98882 154.7
[M+NH4]+ 274.02992 169.0
[M+K]+ 294.95926 155.7
[M+H-H2O]+ 238.99336 144.7
[M+HCOO]- 300.99430 162.7
[M+CH3COO]- 315.00995 189.5
[M+Na-2H]- 276.97077 155.7
[M]+ 255.99555 156.1
[M]- 255.99665 156.1
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