CID 4304234

3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)-1-propanol

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 168.5
[M+Na]+ 332.08239 176.2
[M-H]- 308.08589 172.5
[M+NH4]+ 327.12699 183.3
[M+K]+ 348.05633 170.3
[M+H-H2O]+ 292.09043 160.8
[M+HCOO]- 354.09137 185.5
[M+CH3COO]- 368.10702 205.1
[M+Na-2H]- 330.06784 170.9
[M]+ 309.09262 170.4
[M]- 309.09372 170.4
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.