CID 417369

Nsc 89780

Structural Information

Molecular Formula
C13H20Cl4F6N2
SMILES
C(CCl)N(CCCl)CC(C(C(CN(CCCl)CCCl)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H20Cl4F6N2/c14-1-5-24(6-2-15)9-11(18,19)13(22,23)12(20,21)10-25(7-3-16)8-4-17/h1-10H2
InChIKey
XGCGGYUBHSHDEG-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis(2-chloroethyl)-2,2,3,3,4,4-hexafluoropentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.02847 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.03575 191.4
[M+Na]+ 481.01769 196.6
[M-H]- 457.02119 183.6
[M+NH4]+ 476.06229 201.9
[M+K]+ 496.99163 190.2
[M+H-H2O]+ 441.02573 182.9
[M+HCOO]- 503.02667 185.8
[M+CH3COO]- 517.04232 237.7
[M+Na-2H]- 479.00314 189.5
[M]+ 458.02792 189.8
[M]- 458.02902 189.8
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.