CID 134160121

Pov7o5dm8f

Structural Information

Molecular Formula
C19H21ClF3NO2
SMILES
[11CH3]OC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4(CC(C2)(CC(C3)(C4)F)F)F
InChI
InChI=1S/C19H21ClF3NO2/c1-26-12-2-3-14(20)13(4-12)15(25)24-11-16-5-17(21)8-18(22,6-16)10-19(23,7-16)9-17/h2-4H,5-11H2,1H3,(H,24,25)/i1-1
InChIKey
DWSQAAMUNCFYTG-BJUDXGSMSA-N
Compound name
2-chloro-5-(111C)methoxy-N-[(3,5,7-trifluoro-1-adamantyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.13272 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14000 187.1
[M+Na]+ 409.12194 193.8
[M-H]- 385.12544 182.2
[M+NH4]+ 404.16654 211.8
[M+K]+ 425.09588 186.8
[M+H-H2O]+ 369.12998 176.1
[M+HCOO]- 431.13092 186.8
[M+CH3COO]- 445.14657 193.6
[M+Na-2H]- 407.10739 195.7
[M]+ 386.13217 188.4
[M]- 386.13327 188.4
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

No patent data available for this compound.