CID 244659

2-(methylsulfonyl)aniline

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CS(=O)(=O)C1=CC=CC=C1N
InChI
InChI=1S/C7H9NO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChIKey
AUSRSVRJOXYXMI-UHFFFAOYSA-N
Compound name
2-methylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

446
Patents

171.0354 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04268 133.8
[M+Na]+ 194.02462 145.1
[M+NH4]+ 189.06922 142.1
[M+K]+ 209.99856 138.3
[M-H]- 170.02812 135.4
[M+Na-2H]- 192.01007 139.9
[M]+ 171.03485 136.3
[M]- 171.03595 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe