CID 12643434

2-bromo-5-cyclopropylthiophene

Structural Information

Molecular Formula
C7H7BrS
SMILES
C1CC1C2=CC=C(S2)Br
InChI
InChI=1S/C7H7BrS/c8-7-4-3-6(9-7)5-1-2-5/h3-5H,1-2H2
InChIKey
MCJLFMXDMPIBFA-UHFFFAOYSA-N
Compound name
2-bromo-5-cyclopropylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

201.94518 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe