CID 22455667

5755-61-3

Structural Information

Molecular Formula
C8H15BrS
SMILES
C1CCC(CC1)SCCBr
InChI
InChI=1S/C8H15BrS/c9-6-7-10-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey
YGQOMTRGSXFOEB-UHFFFAOYSA-N
Compound name
2-bromoethylsulfanylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

222.00778 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01506 135.9
[M+Na]+ 244.99700 144.8
[M-H]- 221.00050 141.5
[M+NH4]+ 240.04160 158.4
[M+K]+ 260.97094 133.9
[M+H-H2O]+ 205.00504 136.7
[M+HCOO]- 267.00598 149.4
[M+CH3COO]- 281.02163 184.0
[M+Na-2H]- 242.98245 140.2
[M]+ 222.00723 152.3
[M]- 222.00833 152.3
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