CID 19827293

127800-66-2

Structural Information

Molecular Formula
C7H8BrNS
SMILES
CCSC1=NC=C(C=C1)Br
InChI
InChI=1S/C7H8BrNS/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
InChIKey
LOZFITIIRWTYPM-UHFFFAOYSA-N
Compound name
5-bromo-2-ethylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

216.95609 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96337 126.5
[M+Na]+ 239.94531 139.8
[M-H]- 215.94881 132.4
[M+NH4]+ 234.98991 148.7
[M+K]+ 255.91925 128.3
[M+H-H2O]+ 199.95335 127.2
[M+HCOO]- 261.95429 143.4
[M+CH3COO]- 275.96994 183.5
[M+Na-2H]- 237.93076 133.8
[M]+ 216.95554 147.5
[M]- 216.95664 147.5
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