CID 3061943

2-((butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol

Structural Information

Molecular Formula
C18H17F4NO
SMILES
CCCCN=C(C1=CC=C(C=C1)C(F)(F)F)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C18H17F4NO/c1-2-3-10-23-17(15-11-14(19)8-9-16(15)24)12-4-6-13(7-5-12)18(20,21)22/h4-9,11,24H,2-3,10H2,1H3
InChIKey
GGCWAUIXWGTRED-UHFFFAOYSA-N
Compound name
2-[N-butyl-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12463 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13191 177.0
[M+Na]+ 362.11385 184.6
[M-H]- 338.11735 178.4
[M+NH4]+ 357.15845 190.3
[M+K]+ 378.08779 178.8
[M+H-H2O]+ 322.12189 165.6
[M+HCOO]- 384.12283 194.4
[M+CH3COO]- 398.13848 214.4
[M+Na-2H]- 360.09930 178.0
[M]+ 339.12408 172.7
[M]- 339.12518 172.7
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.