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]+ 215.94771 131.8
[M+Na]+ 237.92965 148.7
[M-H]- 213.93315 138.4
[M+NH4]+ 232.97425 155.0
[M+K]+ 253.90359 137.3
[M+H-H2O]+ 197.93769 126.3
[M+HCOO]- 259.93863 149.3
[M+CH3COO]- 273.95428 196.0
[M+Na-2H]- 235.91510 135.4
[M]+ 214.93988 146.8
[M]- 214.94098 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.