CID 171453

2-propanone, 1,1-bis(4-chlorophenyl)-

Structural Information

Molecular Formula
C15H12Cl2O
SMILES
CC(=O)C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H12Cl2O/c1-10(18)15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-9,15H,1H3
InChIKey
KZULKLJTHWGKMD-UHFFFAOYSA-N
Compound name
1,1-bis(4-chlorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

278.02652 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03380 157.5
[M+Na]+ 301.01574 166.5
[M-H]- 277.01924 163.6
[M+NH4]+ 296.06034 174.8
[M+K]+ 316.98968 160.1
[M+H-H2O]+ 261.02378 152.0
[M+HCOO]- 323.02472 170.4
[M+CH3COO]- 337.04037 198.4
[M+Na-2H]- 299.00119 160.1
[M]+ 278.02597 160.9
[M]- 278.02707 160.9
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