CID 6079924

Nsc638117

Structural Information

Molecular Formula
C18H15F3O2Se
SMILES
CCOC(=O)/C(=C/C1=CC=C(C=C1)C(F)(F)F)/[Se]C2=CC=CC=C2
InChI
InChI=1S/C18H15F3O2Se/c1-2-23-17(22)16(24-15-6-4-3-5-7-15)12-13-8-10-14(11-9-13)18(19,20)21/h3-12H,2H2,1H3/b16-12-
InChIKey
RHIJIVOMWFUENS-VBKFSLOCSA-N
Compound name
ethyl (Z)-2-phenylselanyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.01895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.02623 189.1
[M+Na]+ 423.00817 194.7
[M-H]- 399.01167 190.7
[M+NH4]+ 418.05277 201.6
[M+K]+ 438.98211 189.3
[M+H-H2O]+ 383.01621 177.9
[M+HCOO]- 445.01715 205.0
[M+CH3COO]- 459.03280 210.9
[M+Na-2H]- 420.99362 188.8
[M]+ 400.01840 186.3
[M]- 400.01950 186.3
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.