CID 16775518

3-methanesulfonamido-2,4,6-trimethylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H14ClNO4S2
SMILES
CC1=CC(=C(C(=C1NS(=O)(=O)C)C)S(=O)(=O)Cl)C
InChI
InChI=1S/C10H14ClNO4S2/c1-6-5-7(2)10(18(11,15)16)8(3)9(6)12-17(4,13)14/h5,12H,1-4H3
InChIKey
OCJIUIOHHITCBL-UHFFFAOYSA-N
Compound name
3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.00528 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01256 162.5
[M+Na]+ 333.99450 172.7
[M-H]- 309.99800 167.0
[M+NH4]+ 329.03910 178.8
[M+K]+ 349.96844 166.8
[M+H-H2O]+ 294.00254 158.0
[M+HCOO]- 356.00348 170.3
[M+CH3COO]- 370.01913 201.9
[M+Na-2H]- 331.97995 164.7
[M]+ 311.00473 169.6
[M]- 311.00583 169.6
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.