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]+ 202.95246 125.1
[M+Na]+ 224.93440 140.3
[M-H]- 200.93790 136.0
[M+NH4]+ 219.97900 146.0
[M+K]+ 240.90834 129.1
[M+H-H2O]+ 184.94244 125.8
[M+HCOO]- 246.94338 144.4
[M+CH3COO]- 260.95903 142.1
[M+Na-2H]- 222.91985 130.6
[M]+ 201.94463 146.4
[M]- 201.94573 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