CID 14271496

6-methylnaphthalene-2-sulfonyl chloride

Structural Information

Molecular Formula
C11H9ClO2S
SMILES
CC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H9ClO2S/c1-8-2-3-10-7-11(15(12,13)14)5-4-9(10)6-8/h2-7H,1H3
InChIKey
OXHYCRDRXFZPMW-UHFFFAOYSA-N
Compound name
6-methylnaphthalene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

240.00117 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.008446 145.8
[M+Na]+ 262.990388 157.3
[M-H]- 238.993894 151.4
[M+NH4]+ 258.034993 166.4
[M+K]+ 278.964328 152.0
[M+H-H2O]+ 222.998430 141.6
[M+HCOO]- 284.999371 159.2
[M+CH3COO]- 299.015021 187.5
[M+Na-2H]- 260.975836 152.2
[M]+ 240.00062142 151.3
[M]- 240.00171858 151.3
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