CID 12280048

2-formylthiophene-3-carbonitrile

Structural Information

Molecular Formula
C6H3NOS
SMILES
C1=CSC(=C1C#N)C=O
InChI
InChI=1S/C6H3NOS/c7-3-5-1-2-9-6(5)4-8/h1-2,4H
InChIKey
FDONRZJCFROGIC-UHFFFAOYSA-N
Compound name
2-formylthiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

136.99353 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.00081 130.1
[M+Na]+ 159.98275 142.6
[M-H]- 135.98625 135.0
[M+NH4]+ 155.02735 152.3
[M+K]+ 175.95669 140.0
[M+H-H2O]+ 119.99079 118.8
[M+HCOO]- 181.99173 148.1
[M+CH3COO]- 196.00738 183.2
[M+Na-2H]- 157.96820 133.2
[M]+ 136.99298 128.0
[M]- 136.99408 128.0
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