CID 20906

Fluorosalan

Structural Information

Molecular Formula
C14H8Br2F3NO2
SMILES
C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC(=C2)Br)Br)O)C(F)(F)F
InChI
InChI=1S/C14H8Br2F3NO2/c15-8-5-10(12(21)11(16)6-8)13(22)20-9-3-1-2-7(4-9)14(17,18)19/h1-6,21H,(H,20,22)
InChIKey
VYKKDKFTDMVOBU-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

1089
Patents

436.8874 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.89468 178.8
[M+Na]+ 459.87662 188.6
[M-H]- 435.88012 183.7
[M+NH4]+ 454.92122 192.4
[M+K]+ 475.85056 171.5
[M+H-H2O]+ 419.88466 183.1
[M+HCOO]- 481.88560 190.0
[M+CH3COO]- 495.90125 221.8
[M+Na-2H]- 457.86207 181.1
[M]+ 436.88685 208.5
[M]- 436.88795 208.5
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