CID 59570916

1-bromo-2-(cyclopropylsulfanyl)benzene

Structural Information

Molecular Formula
C9H9BrS
SMILES
C1CC1SC2=CC=CC=C2Br
InChI
InChI=1S/C9H9BrS/c10-8-3-1-2-4-9(8)11-7-5-6-7/h1-4,7H,5-6H2
InChIKey
RVVIRBMUXAQBRD-UHFFFAOYSA-N
Compound name
1-bromo-2-cyclopropylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

literature stripe

Patent stripe

patents stripe