CID 11801

Dansyl chloride

Structural Information

Molecular Formula
C12H12ClNO2S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3
InChIKey
XPDXVDYUQZHFPV-UHFFFAOYSA-N
Compound name
5-(dimethylamino)naphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

973
References

79425
Patents

269.02774 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03502 154.3
[M+Na]+ 292.01696 164.5
[M-H]- 268.02046 160.9
[M+NH4]+ 287.06156 173.9
[M+K]+ 307.99090 160.2
[M+H-H2O]+ 252.02500 149.2
[M+HCOO]- 314.02594 168.7
[M+CH3COO]- 328.04159 198.7
[M+Na-2H]- 290.00241 160.1
[M]+ 269.02719 160.7
[M]- 269.02829 160.7
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

No patent data available for this compound.