CID 4657253

Cbdive_008217

Structural Information

Molecular Formula
C15H13Cl2NO2
SMILES
C1=CC2=C(C=C1Cl)C3=C(N2CC(CO)O)C=CC(=C3)Cl
InChI
InChI=1S/C15H13Cl2NO2/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11(20)8-19/h1-6,11,19-20H,7-8H2
InChIKey
HUEAREQFYNUIEN-UHFFFAOYSA-N
Compound name
3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

309.03235 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.03963 165.5
[M+Na]+ 332.02157 177.5
[M-H]- 308.02507 167.3
[M+NH4]+ 327.06617 183.6
[M+K]+ 347.99551 169.7
[M+H-H2O]+ 292.02961 160.7
[M+HCOO]- 354.03055 175.3
[M+CH3COO]- 368.04620 177.1
[M+Na-2H]- 330.00702 168.9
[M]+ 309.03180 171.3
[M]- 309.03290 171.3
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

patents stripe