CID 120138

5-chloro-2-(methylsulfonyl)aniline

Structural Information

Molecular Formula
C7H8ClNO2S
SMILES
CS(=O)(=O)C1=C(C=C(C=C1)Cl)N
InChI
InChI=1S/C7H8ClNO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
InChIKey
GZPZIEPSQSEDLT-UHFFFAOYSA-N
Compound name
5-chloro-2-methylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

204.99643 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.00371 137.6
[M+Na]+ 227.98565 148.3
[M-H]- 203.98915 142.0
[M+NH4]+ 223.03025 158.0
[M+K]+ 243.95959 143.7
[M+H-H2O]+ 187.99369 133.6
[M+HCOO]- 249.99463 152.5
[M+CH3COO]- 264.01028 182.1
[M+Na-2H]- 225.97110 141.7
[M]+ 204.99588 140.7
[M]- 204.99698 140.7
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

patents stripe