CID 9826528

391210-10-9

Structural Information

Molecular Formula
C16H14F3IN2O4
SMILES
C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O
InChI
InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
InChIKey
SUDAHWBOROXANE-SECBINFHSA-N
Compound name
N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

340
References

4016
Patents

481.99503 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.00231 202.0
[M+Na]+ 504.98425 202.1
[M+NH4]+ 500.02885 200.7
[M+K]+ 520.95819 200.3
[M-H]- 480.98775 194.4
[M+Na-2H]- 502.96970 192.0
[M]+ 481.99448 198.3
[M]- 481.99558 198.3
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