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 151.0
[M+Na]+ 256.00332 157.2
[M-H]- 232.00682 148.7
[M+NH4]+ 251.04792 169.4
[M+K]+ 271.97726 148.9
[M+H-H2O]+ 216.01136 153.8
[M+HCOO]- 278.01230 158.3
[M+CH3COO]- 292.02795 185.6
[M+Na-2H]- 253.98877 155.7
[M]+ 233.01355 152.3
[M]- 233.01465 152.3
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.