CID 3067590

81744-13-0

Structural Information

Molecular Formula
C14H8F3NOSe
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C14H8F3NOSe/c15-14(16,17)9-5-7-10(8-6-9)18-13(19)11-3-1-2-4-12(11)20-18/h1-8H
InChIKey
CSPJPLIQFUNNNU-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

342.97232 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.97960 169.4
[M+Na]+ 365.96154 181.2
[M-H]- 341.96504 172.7
[M+NH4]+ 361.00614 186.8
[M+K]+ 381.93548 174.8
[M+H-H2O]+ 325.96958 159.0
[M+HCOO]- 387.97052 189.0
[M+CH3COO]- 401.98617 199.8
[M+Na-2H]- 363.94699 173.7
[M]+ 342.97177 168.4
[M]- 342.97287 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe