CID 89843038

(2-chloro-5-iodophenyl)(4-methoxyphenyl)methanone

Structural Information

Molecular Formula
C14H10ClIO2
SMILES
COC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)I)Cl
InChI
InChI=1S/C14H10ClIO2/c1-18-11-5-2-9(3-6-11)14(17)12-8-10(16)4-7-13(12)15/h2-8H,1H3
InChIKey
JENZZAGOSSIJAZ-UHFFFAOYSA-N
Compound name
(2-chloro-5-iodophenyl)-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

371.9414 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.94868 162.5
[M+Na]+ 394.93062 165.1
[M-H]- 370.93412 162.2
[M+NH4]+ 389.97522 175.2
[M+K]+ 410.90456 166.2
[M+H-H2O]+ 354.93866 152.5
[M+HCOO]- 416.93960 176.7
[M+CH3COO]- 430.95525 203.7
[M+Na-2H]- 392.91607 154.6
[M]+ 371.94085 163.7
[M]- 371.94195 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe