CID 91660

Dabsyl chloride

Structural Information

Molecular Formula
C14H14ClN3O2S
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C14H14ClN3O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3
InChIKey
VTVWTPGLLAELLI-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

82
References

1105
Patents

323.04953 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.056806 172.0
[M+Na]+ 346.038748 180.7
[M-H]- 322.042254 183.2
[M+NH4]+ 341.083353 188.6
[M+K]+ 362.012688 176.7
[M+H-H2O]+ 306.046790 164.0
[M+HCOO]- 368.047731 192.3
[M+CH3COO]- 382.063381 216.3
[M+Na-2H]- 344.024196 177.5
[M]+ 323.04898142 179.1
[M]- 323.05007858 179.1
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

No patent data available for this compound.