CID 80474319

(3-bromothiophen-2-yl)(cyclohexyl)methanone

Structural Information

Molecular Formula
C11H13BrOS
SMILES
C1CCC(CC1)C(=O)C2=C(C=CS2)Br
InChI
InChI=1S/C11H13BrOS/c12-9-6-7-14-11(9)10(13)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKey
BWHNOFDSLKFSQK-UHFFFAOYSA-N
Compound name
(3-bromothiophen-2-yl)-cyclohexylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.98706 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.99434 150.7
[M+Na]+ 294.97628 160.7
[M-H]- 270.97978 159.7
[M+NH4]+ 290.02088 173.0
[M+K]+ 310.95022 149.5
[M+H-H2O]+ 254.98432 151.5
[M+HCOO]- 316.98526 165.1
[M+CH3COO]- 331.00091 190.9
[M+Na-2H]- 292.96173 151.8
[M]+ 271.98651 167.2
[M]- 271.98761 167.2
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.