CID 12862072

2-bromo-1-(4-(phenylthio)phenyl)ethanone

Structural Information

Molecular Formula
C14H11BrOS
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)CBr
InChI
InChI=1S/C14H11BrOS/c15-10-14(16)11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
YYNHNLPRXUOYCM-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-phenylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

305.9714 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.97868 152.4
[M+Na]+ 328.96062 163.6
[M-H]- 304.96412 161.7
[M+NH4]+ 324.00522 171.6
[M+K]+ 344.93456 151.0
[M+H-H2O]+ 288.96866 152.2
[M+HCOO]- 350.96960 169.1
[M+CH3COO]- 364.98525 198.3
[M+Na-2H]- 326.94607 157.4
[M]+ 305.97085 172.9
[M]- 305.97195 172.9
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