CID 91926169

3-chloro-1-(4-chlorophenyl)-1,1-difluoropropan-2-one

Structural Information

Molecular Formula
C9H6Cl2F2O
SMILES
C1=CC(=CC=C1C(C(=O)CCl)(F)F)Cl
InChI
InChI=1S/C9H6Cl2F2O/c10-5-8(14)9(12,13)6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKey
SIGYIWBGLRNUJL-UHFFFAOYSA-N
Compound name
3-chloro-1-(4-chlorophenyl)-1,1-difluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97638 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98366 140.7
[M+Na]+ 260.96560 150.8
[M-H]- 236.96910 141.5
[M+NH4]+ 256.01020 159.8
[M+K]+ 276.93954 145.3
[M+H-H2O]+ 220.97364 135.5
[M+HCOO]- 282.97458 151.5
[M+CH3COO]- 296.99023 188.7
[M+Na-2H]- 258.95105 145.5
[M]+ 237.97583 141.6
[M]- 237.97693 141.6
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

No patent data available for this compound.