CID 3061945

80018-42-4

Structural Information

Molecular Formula
C17H17ClFNO
SMILES
CCCCN=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C17H17ClFNO/c1-2-3-10-20-17(12-4-6-13(18)7-5-12)15-11-14(19)8-9-16(15)21/h4-9,11,21H,2-3,10H2,1H3
InChIKey
BLBQSSOLFSJYSA-UHFFFAOYSA-N
Compound name
2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.09827 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10555 169.4
[M+Na]+ 328.08749 177.6
[M-H]- 304.09099 174.7
[M+NH4]+ 323.13209 185.2
[M+K]+ 344.06143 171.0
[M+H-H2O]+ 288.09553 161.5
[M+HCOO]- 350.09647 187.6
[M+CH3COO]- 364.11212 207.1
[M+Na-2H]- 326.07294 171.7
[M]+ 305.09772 171.3
[M]- 305.09882 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