CID 377651

Nsc659231

Structural Information

Molecular Formula
C13H9Cl2F4NO
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CC(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C13H9Cl2F4NO/c14-12(16,17)11(21,13(15,18)19)7-9-6-5-8-3-1-2-4-10(8)20-9/h1-6,21H,7H2
InChIKey
OQFVYBMVGOSBNB-UHFFFAOYSA-N
Compound name
1,3-dichloro-1,1,3,3-tetrafluoro-2-(quinolin-2-ylmethyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.99973 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.00701 166.6
[M+Na]+ 363.98895 176.7
[M-H]- 339.99245 163.0
[M+NH4]+ 359.03355 180.5
[M+K]+ 379.96289 169.2
[M+H-H2O]+ 323.99699 158.2
[M+HCOO]- 385.99793 168.6
[M+CH3COO]- 400.01358 204.5
[M+Na-2H]- 361.97440 173.7
[M]+ 340.99918 164.5
[M]- 341.00028 164.5
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.