CID 526493

5-chloro-2'-fluoro-2-diethyaminoethylaminobenzophenone

Structural Information

Molecular Formula
C19H22ClFN2O
SMILES
CCN(CC)CCNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2F
InChI
InChI=1S/C19H22ClFN2O/c1-3-23(4-2)12-11-22-18-10-9-14(20)13-16(18)19(24)15-7-5-6-8-17(15)21/h5-10,13,22H,3-4,11-12H2,1-2H3
InChIKey
VOXNSVGFHTWQLC-UHFFFAOYSA-N
Compound name
[5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

348.14047 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14775 183.2
[M+Na]+ 371.12969 189.6
[M-H]- 347.13319 189.3
[M+NH4]+ 366.17429 197.3
[M+K]+ 387.10363 184.0
[M+H-H2O]+ 331.13773 174.1
[M+HCOO]- 393.13867 202.1
[M+CH3COO]- 407.15432 222.0
[M+Na-2H]- 369.11514 183.9
[M]+ 348.13992 186.4
[M]- 348.14102 186.4
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.