CID 11275015

57240-59-2

Structural Information

Molecular Formula
C5H2ClNO
SMILES
C1=C(OC(=C1)Cl)C#N
InChI
InChI=1S/C5H2ClNO/c6-5-2-1-4(3-7)8-5/h1-2H
InChIKey
ZQXMLPGTNIYTRW-UHFFFAOYSA-N
Compound name
5-chlorofuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

126.98249 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.98977 120.2
[M+Na]+ 149.97171 133.1
[M-H]- 125.97521 124.4
[M+NH4]+ 145.01631 141.6
[M+K]+ 165.94565 130.3
[M+H-H2O]+ 109.97975 109.5
[M+HCOO]- 171.98069 138.1
[M+CH3COO]- 185.99634 181.2
[M+Na-2H]- 147.95716 127.7
[M]+ 126.98194 118.2
[M]- 126.98304 118.2
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