CID 2323435

303126-97-8

Structural Information

Molecular Formula
C16H10ClF6NO2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)Cl
InChI
InChI=1S/C16H10ClF6NO2/c17-12-4-2-1-3-11(12)13(25)24-10-7-5-9(6-8-10)14(26,15(18,19)20)16(21,22)23/h1-8,26H,(H,24,25)
InChIKey
IZVBONMVWLTLNT-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

397.03043 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.03771 179.8
[M+Na]+ 420.01965 188.6
[M-H]- 396.02315 177.9
[M+NH4]+ 415.06425 190.7
[M+K]+ 435.99359 181.6
[M+H-H2O]+ 380.02769 168.8
[M+HCOO]- 442.02863 187.0
[M+CH3COO]- 456.04428 216.3
[M+Na-2H]- 418.00510 183.0
[M]+ 397.02988 172.9
[M]- 397.03098 172.9
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