CID 111414

Einecs 272-661-5

Structural Information

Molecular Formula
C11H16Cl2N2O2
SMILES
C1=CC=NC(=C1)NCC(CCl)OCC(CCl)O
InChI
InChI=1S/C11H16Cl2N2O2/c12-5-9(16)8-17-10(6-13)7-15-11-3-1-2-4-14-11/h1-4,9-10,16H,5-8H2,(H,14,15)
InChIKey
JFIKCGBOLQRWNX-UHFFFAOYSA-N
Compound name
1-chloro-3-[1-chloro-3-(pyridin-2-ylamino)propan-2-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.05887 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06615 158.0
[M+Na]+ 301.04809 163.7
[M-H]- 277.05159 157.5
[M+NH4]+ 296.09269 172.7
[M+K]+ 317.02203 158.8
[M+H-H2O]+ 261.05613 152.1
[M+HCOO]- 323.05707 169.0
[M+CH3COO]- 337.07272 196.2
[M+Na-2H]- 299.03354 161.5
[M]+ 278.05832 161.2
[M]- 278.05942 161.2
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.