CID 22350105

1-bromo-4-cyclopropylthiobenzene

Structural Information

Molecular Formula
C9H9BrS
SMILES
C1CC1SC2=CC=C(C=C2)Br
InChI
InChI=1S/C9H9BrS/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9H,5-6H2
InChIKey
BIVPXDHUZDKZKC-UHFFFAOYSA-N
Compound name
1-bromo-4-cyclopropylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

227.96083 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.96811 129.1
[M+Na]+ 250.95005 143.0
[M-H]- 226.95355 139.6
[M+NH4]+ 245.99465 147.3
[M+K]+ 266.92399 131.4
[M+H-H2O]+ 210.95809 129.1
[M+HCOO]- 272.95903 147.4
[M+CH3COO]- 286.97468 145.1
[M+Na-2H]- 248.93550 136.0
[M]+ 227.96028 150.3
[M]- 227.96138 150.3
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