CID 185463

Salantel

Structural Information

Molecular Formula
C20H11Cl2I2NO3
SMILES
C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)NC(=O)C3=C(C(=CC(=C3)I)I)O)Cl)Cl
InChI
InChI=1S/C20H11Cl2I2NO3/c21-11-3-1-10(2-4-11)18(26)14-6-5-13(9-16(14)22)25-20(28)15-7-12(23)8-17(24)19(15)27/h1-9,27H,(H,25,28)
InChIKey
IYOGQJKSVBNXBF-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-(4-chlorobenzoyl)phenyl]-2-hydroxy-3,5-diiodobenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

97
Patents

636.82056 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.827836 210.4
[M+Na]+ 659.809778 204.8
[M-H]- 635.813284 205.1
[M+NH4]+ 654.854383 211.5
[M+K]+ 675.783718 209.8
[M+H-H2O]+ 619.817820 196.8
[M+HCOO]- 681.818761 212.4
[M+CH3COO]- 695.834411 237.8
[M+Na-2H]- 657.795226 192.4
[M]+ 636.82001142 208.2
[M]- 636.82110858 208.2
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