CID 20771902

2-bromo-5-(2-methylpropyl)thiophene

Structural Information

Molecular Formula
C8H11BrS
SMILES
CC(C)CC1=CC=C(S1)Br
InChI
InChI=1S/C8H11BrS/c1-6(2)5-7-3-4-8(9)10-7/h3-4,6H,5H2,1-2H3
InChIKey
UBOFODWCVBXQQX-UHFFFAOYSA-N
Compound name
2-bromo-5-(2-methylpropyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

217.97649 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98377 135.6
[M+Na]+ 240.96571 148.5
[M-H]- 216.96921 142.8
[M+NH4]+ 236.01031 160.7
[M+K]+ 256.93965 137.6
[M+H-H2O]+ 200.97375 136.8
[M+HCOO]- 262.97469 153.0
[M+CH3COO]- 276.99034 184.9
[M+Na-2H]- 238.95116 138.7
[M]+ 217.97594 156.5
[M]- 217.97704 156.5
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

patents stripe