CID 68519

Salfluverine

Structural Information

Molecular Formula
C14H10F3NO2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O
InChI
InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,18,20)
InChIKey
WQDAVGDBWHWDSC-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

48
Patents

281.06638 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07366 158.5
[M+Na]+ 304.05560 166.3
[M-H]- 280.05910 160.4
[M+NH4]+ 299.10020 173.3
[M+K]+ 320.02954 161.7
[M+H-H2O]+ 264.06364 148.9
[M+HCOO]- 326.06458 177.2
[M+CH3COO]- 340.08023 198.0
[M+Na-2H]- 302.04105 162.8
[M]+ 281.06583 153.3
[M]- 281.06693 153.3
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

patents stripe