CID 3069747

2-propanol, 1,1'-(o-phenylenediimino)bis(3-chloro-

Structural Information

Molecular Formula
C12H18Cl2N2O2
SMILES
C1=CC=C(C(=C1)NCC(CCl)O)NCC(CCl)O
InChI
InChI=1S/C12H18Cl2N2O2/c13-5-9(17)7-15-11-3-1-2-4-12(11)16-8-10(18)6-14/h1-4,9-10,15-18H,5-8H2
InChIKey
LKYBBUJUXPLBIC-UHFFFAOYSA-N
Compound name
1-chloro-3-[2-[(3-chloro-2-hydroxypropyl)amino]anilino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.07452 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08180 164.5
[M+Na]+ 315.06374 174.2
[M+NH4]+ 310.10834 171.3
[M+K]+ 331.03768 168.1
[M-H]- 291.06724 165.6
[M+Na-2H]- 313.04919 168.7
[M]+ 292.07397 166.4
[M]- 292.07507 166.4
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.