CID 3062564

98428-12-7

Structural Information

Molecular Formula
C7H14Cl3NO
SMILES
CC(C[N+](CCCl)(CCCl)[O-])Cl
InChI
InChI=1S/C7H14Cl3NO/c1-7(10)6-11(12,4-2-8)5-3-9/h7H,2-6H2,1H3
InChIKey
JSTUZZMAANLKRO-UHFFFAOYSA-N
Compound name
2-chloro-N,N-bis(2-chloroethyl)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0141 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.02138 148.5
[M+Na]+ 256.00332 161.1
[M+NH4]+ 251.04792 157.3
[M+K]+ 271.97726 155.6
[M-H]- 232.00682 149.2
[M+Na-2H]- 253.98877 152.6
[M]+ 233.01355 151.4
[M]- 233.01465 151.4
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.