CID 22350105

411229-63-5

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

124
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 122.4
[M+Na]+ 250.95005 128.5
[M+NH4]+ 245.99465 130.0
[M+K]+ 266.92399 127.4
[M-H]- 226.95355 131.2
[M+Na-2H]- 248.93550 131.0
[M]+ 227.96028 126.1
[M]- 227.96138 126.1
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