CID 581160

2,6-naphthalenedisulfonyl chloride

Structural Information

Molecular Formula
C10H6Cl2O4S2
SMILES
C1=CC2=C(C=CC(=C2)S(=O)(=O)Cl)C=C1S(=O)(=O)Cl
InChI
InChI=1S/C10H6Cl2O4S2/c11-17(13,14)9-3-1-7-5-10(18(12,15)16)4-2-8(7)6-9/h1-6H
InChIKey
VPLHHUICIOEESV-UHFFFAOYSA-N
Compound name
naphthalene-2,6-disulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

323.90845 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.91573 161.5
[M+Na]+ 346.89767 173.1
[M-H]- 322.90117 166.7
[M+NH4]+ 341.94227 178.8
[M+K]+ 362.87161 166.6
[M+H-H2O]+ 306.90571 158.7
[M+HCOO]- 368.90665 164.1
[M+CH3COO]- 382.92230 196.6
[M+Na-2H]- 344.88312 167.4
[M]+ 323.90790 169.1
[M]- 323.90900 169.1
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