CID 43975

Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide

Structural Information

Molecular Formula
C10H8ClNO2S
SMILES
C1CN1C2=C(S(=O)(=O)C3=CC=CC=C32)Cl
InChI
InChI=1S/C10H8ClNO2S/c11-10-9(12-5-6-12)7-3-1-2-4-8(7)15(10,13)14/h1-4H,5-6H2
InChIKey
RJJAQIDLFUFLST-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-2-chloro-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.99643 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00371 145.5
[M+Na]+ 263.98565 159.8
[M-H]- 239.98915 153.5
[M+NH4]+ 259.03025 163.4
[M+K]+ 279.95959 154.4
[M+H-H2O]+ 223.99369 141.1
[M+HCOO]- 285.99463 160.1
[M+CH3COO]- 300.01028 159.6
[M+Na-2H]- 261.97110 149.6
[M]+ 240.99588 153.8
[M]- 240.99698 153.8
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.