CID 3045086

Brn 2984754

Structural Information

Molecular Formula
C10H12Cl2FNO2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)F)N(CCCl)CCCl
InChI
InChI=1S/C10H12Cl2FNO2S/c11-4-6-14(7-5-12)9-2-1-3-10(8-9)17(13,15)16/h1-3,8H,4-7H2
InChIKey
GGEKIZAOMXFLPH-UHFFFAOYSA-N
Compound name
3-[bis(2-chloroethyl)amino]benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.995 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.00228 157.8
[M+Na]+ 321.98422 166.7
[M-H]- 297.98772 161.3
[M+NH4]+ 317.02882 175.3
[M+K]+ 337.95816 161.4
[M+H-H2O]+ 281.99226 152.5
[M+HCOO]- 343.99320 166.9
[M+CH3COO]- 358.00885 201.1
[M+Na-2H]- 319.96967 160.4
[M]+ 298.99445 163.9
[M]- 298.99555 163.9
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.