CID 13165157

57337-96-9

Structural Information

Molecular Formula
C5H4ClNO2
SMILES
COC(=O)/C(=C/Cl)/C#N
InChI
InChI=1S/C5H4ClNO2/c1-9-5(8)4(2-6)3-7/h2H,1H3/b4-2+
InChIKey
SGBKZULGAZPQPN-DUXPYHPUSA-N
Compound name
methyl (E)-3-chloro-2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

144.99306 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.00034 125.4
[M+Na]+ 167.98228 136.0
[M-H]- 143.98578 126.7
[M+NH4]+ 163.02688 145.6
[M+K]+ 183.95622 134.0
[M+H-H2O]+ 127.99032 115.7
[M+HCOO]- 189.99126 141.2
[M+CH3COO]- 204.00691 184.9
[M+Na-2H]- 165.96773 130.2
[M]+ 144.99251 123.1
[M]- 144.99361 123.1
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