CID 11817322

Naphthalen-2-ylmethanesulfonyl chloride

Structural Information

Molecular Formula
C11H9ClO2S
SMILES
C1=CC=C2C=C(C=CC2=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C11H9ClO2S/c12-15(13,14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKey
PJHVZZODQMXUDU-UHFFFAOYSA-N
Compound name
naphthalen-2-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

240.00117 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.008446 146.3
[M+Na]+ 262.990388 157.0
[M-H]- 238.993894 151.6
[M+NH4]+ 258.034993 166.7
[M+K]+ 278.964328 151.7
[M+H-H2O]+ 222.998430 141.9
[M+HCOO]- 284.999371 159.8
[M+CH3COO]- 299.015021 186.3
[M+Na-2H]- 260.975836 153.4
[M]+ 240.00062142 151.5
[M]- 240.00171858 151.5
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