CID 6366642

Thiocyanic acid, 2,3-dibromoallyl ester

Structural Information

Molecular Formula
C4H3Br2NS
SMILES
C(/C(=C/Br)/Br)SC#N
InChI
InChI=1S/C4H3Br2NS/c5-1-4(6)2-8-3-7/h1H,2H2/b4-1-
InChIKey
MKZFDUNLCSMNOX-RJRFIUFISA-N
Compound name
[(Z)-2,3-dibromoprop-2-enyl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.8353 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.842576 111.7
[M+Na]+ 277.824518 125.4
[M-H]- 253.828024 115.0
[M+NH4]+ 272.869123 131.1
[M+K]+ 293.798458 109.8
[M+H-H2O]+ 237.832560 114.0
[M+HCOO]- 299.833501 125.5
[M+CH3COO]- 313.849151 205.2
[M+Na-2H]- 275.809966 118.8
[M]+ 254.83475142 139.3
[M]- 254.83584858 139.3
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

No patent data available for this compound.