CID 617418

2,6-dichloro-4-mesylaniline

Structural Information

Molecular Formula
C7H7Cl2NO2S
SMILES
CS(=O)(=O)C1=CC(=C(C(=C1)Cl)N)Cl
InChI
InChI=1S/C7H7Cl2NO2S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKey
JMVVMLXAGZVYMB-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-methylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

238.95746 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96474 143.2
[M+Na]+ 261.94668 154.8
[M-H]- 237.95018 147.3
[M+NH4]+ 256.99128 162.8
[M+K]+ 277.92062 149.0
[M+H-H2O]+ 221.95472 140.3
[M+HCOO]- 283.95566 153.0
[M+CH3COO]- 297.97131 188.0
[M+Na-2H]- 259.93213 146.0
[M]+ 238.95691 147.6
[M]- 238.95801 147.6
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.