CID 511952

2-[(3,4-dichlorophenyl)methyl]-5-isopropylsulfonyl-pyridine

Structural Information

Molecular Formula
C15H15Cl2NO2S
SMILES
CC(C)S(=O)(=O)C1=CN=C(C=C1)CC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H15Cl2NO2S/c1-10(2)21(19,20)13-5-4-12(18-9-13)7-11-3-6-14(16)15(17)8-11/h3-6,8-10H,7H2,1-2H3
InChIKey
UBBQLQCLZVWEKX-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylsulfonylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.02005 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.02733 170.9
[M+Na]+ 366.00927 181.2
[M-H]- 342.01277 176.6
[M+NH4]+ 361.05387 185.3
[M+K]+ 381.98321 174.4
[M+H-H2O]+ 326.01731 164.9
[M+HCOO]- 388.01825 177.1
[M+CH3COO]- 402.03390 206.5
[M+Na-2H]- 363.99472 172.1
[M]+ 343.01950 177.7
[M]- 343.02060 177.7
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.