CID 7130608

[4-(2-methylpropyl)phenyl](thiophen-2-yl)methanone

Structural Information

Molecular Formula
C15H16OS
SMILES
CC(C)CC1=CC=C(C=C1)C(=O)C2=CC=CS2
InChI
InChI=1S/C15H16OS/c1-11(2)10-12-5-7-13(8-6-12)15(16)14-4-3-9-17-14/h3-9,11H,10H2,1-2H3
InChIKey
BWWFWPJFTJDYID-UHFFFAOYSA-N
Compound name
[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0922 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09948 156.9
[M+Na]+ 267.08142 164.3
[M-H]- 243.08492 164.0
[M+NH4]+ 262.12602 176.7
[M+K]+ 283.05536 160.5
[M+H-H2O]+ 227.08946 150.6
[M+HCOO]- 289.09040 175.1
[M+CH3COO]- 303.10605 192.7
[M+Na-2H]- 265.06687 155.8
[M]+ 244.09165 159.5
[M]- 244.09275 159.5
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.