CID 101821234

V8z64cj15d

Structural Information

Molecular Formula
C8H10BrCl2NS
SMILES
C1=CSC(=C1N(CCCl)CCCl)Br
InChI
InChI=1S/C8H10BrCl2NS/c9-8-7(1-6-13-8)12(4-2-10)5-3-11/h1,6H,2-5H2
InChIKey
WVNLDXWXYSEDCJ-UHFFFAOYSA-N
Compound name
2-bromo-N,N-bis(2-chloroethyl)thiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.90945 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.91673 150.6
[M+Na]+ 323.89867 164.2
[M-H]- 299.90217 158.2
[M+NH4]+ 318.94327 173.8
[M+K]+ 339.87261 150.2
[M+H-H2O]+ 283.90671 152.0
[M+HCOO]- 345.90765 160.9
[M+CH3COO]- 359.92330 199.4
[M+Na-2H]- 321.88412 153.4
[M]+ 300.90890 174.4
[M]- 300.91000 174.5
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.