CID 14818275

4-(ethanesulfonyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CCS(=O)(=O)C1=CC(=C(C=C1)N)N
InChI
InChI=1S/C8H12N2O2S/c1-2-13(11,12)6-3-4-7(9)8(10)5-6/h3-5H,2,9-10H2,1H3
InChIKey
JRCUHLAJCDQEAS-UHFFFAOYSA-N
Compound name
4-ethylsulfonylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

200.06195 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.069226 140.4
[M+Na]+ 223.051168 149.1
[M-H]- 199.054674 143.7
[M+NH4]+ 218.095773 159.3
[M+K]+ 239.025108 145.4
[M+H-H2O]+ 183.059210 134.6
[M+HCOO]- 245.060151 159.7
[M+CH3COO]- 259.075801 185.8
[M+Na-2H]- 221.036616 143.8
[M]+ 200.06140142 140.1
[M]- 200.06249858 140.1
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