CID 129956794

1379362-41-0

Structural Information

Molecular Formula
C7H6BrNS
SMILES
CC1=C(C(=C(S1)C)Br)C#N
InChI
InChI=1S/C7H6BrNS/c1-4-6(3-9)7(8)5(2)10-4/h1-2H3
InChIKey
IANQRVWZKAQMGO-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dimethylthiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.94043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.947706 131.8
[M+Na]+ 237.929648 148.7
[M-H]- 213.933154 138.4
[M+NH4]+ 232.974253 155.0
[M+K]+ 253.903588 137.3
[M+H-H2O]+ 197.937690 126.3
[M+HCOO]- 259.938631 149.3
[M+CH3COO]- 273.954281 196.0
[M+Na-2H]- 235.915096 135.4
[M]+ 214.93988142 146.8
[M]- 214.94097858 146.8
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.