CID 43603530

N-(2-aminoethyl)-4-chloro-2-fluorobenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C8H10ClFN2O2S
SMILES
C1=CC(=C(C=C1Cl)F)S(=O)(=O)NCCN
InChI
InChI=1S/C8H10ClFN2O2S/c9-6-1-2-8(7(10)5-6)15(13,14)12-4-3-11/h1-2,5,12H,3-4,11H2
InChIKey
HTDLTEDBKLQTEO-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-4-chloro-2-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

252.01355 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.020826 148.1
[M+Na]+ 275.002768 157.4
[M-H]- 251.006274 150.5
[M+NH4]+ 270.047373 166.0
[M+K]+ 290.976708 151.9
[M+H-H2O]+ 235.010810 142.3
[M+HCOO]- 297.011751 162.5
[M+CH3COO]- 311.027401 192.9
[M+Na-2H]- 272.988216 151.7
[M]+ 252.01300142 149.7
[M]- 252.01409858 149.7
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