CID 18388568

2-methylnaphthalene-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H9ClO2S
SMILES
CC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C11H9ClO2S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3
InChIKey
KRTQHSSAPOINBY-UHFFFAOYSA-N
Compound name
2-methylnaphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

240.00117 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00845 145.8
[M+Na]+ 262.99039 157.3
[M-H]- 238.99389 151.4
[M+NH4]+ 258.03499 166.4
[M+K]+ 278.96433 152.0
[M+H-H2O]+ 222.99843 141.6
[M+HCOO]- 284.99937 159.2
[M+CH3COO]- 299.01502 187.5
[M+Na-2H]- 260.97584 152.2
[M]+ 240.00062 151.3
[M]- 240.00172 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