CID 24974611

2-bromo-3-cyclopropylthiophene

Structural Information

Molecular Formula
C7H7BrS
SMILES
C1CC1C2=C(SC=C2)Br
InChI
InChI=1S/C7H7BrS/c8-7-6(3-4-9-7)5-1-2-5/h3-5H,1-2H2
InChIKey
ONHUMGJETQAFFX-UHFFFAOYSA-N
Compound name
2-bromo-3-cyclopropylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.94518 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.952456 125.1
[M+Na]+ 224.934398 140.3
[M-H]- 200.937904 136.0
[M+NH4]+ 219.979003 146.0
[M+K]+ 240.908338 129.1
[M+H-H2O]+ 184.942440 125.8
[M+HCOO]- 246.943381 144.4
[M+CH3COO]- 260.959031 142.1
[M+Na-2H]- 222.919846 130.6
[M]+ 201.94463142 146.4
[M]- 201.94572858 146.4
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