CID 26599254

(3-bromophenyl)(cyclopropylmethyl)sulfane

Structural Information

Molecular Formula
C10H11BrS
SMILES
C1CC1CSC2=CC(=CC=C2)Br
InChI
InChI=1S/C10H11BrS/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKey
BIDNDPBMKWOGQG-UHFFFAOYSA-N
Compound name
1-bromo-3-(cyclopropylmethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.97649 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98377 133.2
[M+Na]+ 264.96571 146.7
[M-H]- 240.96921 143.5
[M+NH4]+ 260.01031 151.0
[M+K]+ 280.93965 134.9
[M+H-H2O]+ 224.97375 133.1
[M+HCOO]- 286.97469 151.2
[M+CH3COO]- 300.99034 148.9
[M+Na-2H]- 262.95116 139.6
[M]+ 241.97594 154.8
[M]- 241.97704 154.8
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

No patent data available for this compound.