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 163.7
[M+Na]+ 315.06374 168.7
[M-H]- 291.06724 163.4
[M+NH4]+ 310.10834 178.5
[M+K]+ 331.03768 162.9
[M+H-H2O]+ 275.07178 159.1
[M+HCOO]- 337.07272 175.4
[M+CH3COO]- 351.08837 200.4
[M+Na-2H]- 313.04919 165.6
[M]+ 292.07397 164.8
[M]- 292.07507 164.8
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.