CID 615904

4-iodo-4'-(trifluoromethyl)benzophenone

Structural Information

Molecular Formula
C14H8F3IO
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)I)C(F)(F)F
InChI
InChI=1S/C14H8F3IO/c15-14(16,17)11-5-1-9(2-6-11)13(19)10-3-7-12(18)8-4-10/h1-8H
InChIKey
WCIJFUKGUGHDRD-UHFFFAOYSA-N
Compound name
(4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.9572 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.96448 162.2
[M+Na]+ 398.94642 163.9
[M-H]- 374.94992 158.1
[M+NH4]+ 393.99102 173.6
[M+K]+ 414.92036 165.2
[M+H-H2O]+ 358.95446 149.2
[M+HCOO]- 420.95540 176.0
[M+CH3COO]- 434.97105 204.6
[M+Na-2H]- 396.93187 154.3
[M]+ 375.95665 155.8
[M]- 375.95775 155.8
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