CID 4304234

477328-82-8

Structural Information

Molecular Formula
C16H17ClFNO2
SMILES
COC1=C(C=C(C=C1)Cl)NCCC(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C16H17ClFNO2/c1-21-16-7-4-12(17)10-14(16)19-9-8-15(20)11-2-5-13(18)6-3-11/h2-7,10,15,19-20H,8-9H2,1H3
InChIKey
VARXYJUUTDNBCQ-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

309.09317 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10045 169.2
[M+Na]+ 332.08239 182.4
[M+NH4]+ 327.12699 176.8
[M+K]+ 348.05633 174.6
[M-H]- 308.08589 172.3
[M+Na-2H]- 330.06784 176.7
[M]+ 309.09262 172.2
[M]- 309.09372 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.