CID 105973

3-amino-5-chloro-4-ethylbenzenesulfonic acid

Structural Information

Molecular Formula
C8H10ClNO3S
SMILES
CCC1=C(C=C(C=C1Cl)S(=O)(=O)O)N
InChI
InChI=1S/C8H10ClNO3S/c1-2-6-7(9)3-5(4-8(6)10)14(11,12)13/h3-4H,2,10H2,1H3,(H,11,12,13)
InChIKey
ZXFQJBRYWYWLAM-UHFFFAOYSA-N
Compound name
3-amino-5-chloro-4-ethylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

235.00699 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.01427 148.2
[M+Na]+ 257.99621 159.7
[M+NH4]+ 253.04081 155.5
[M+K]+ 273.97015 153.0
[M-H]- 233.99971 148.8
[M+Na-2H]- 255.98166 152.5
[M]+ 235.00644 150.6
[M]- 235.00754 150.6
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.