CID 13165157

Methyl 3-chloro-2-cyanoprop-2-enoate

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

1
Patents

144.99306 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.000336 125.4
[M+Na]+ 167.982278 136.0
[M-H]- 143.985784 126.7
[M+NH4]+ 163.026883 145.6
[M+K]+ 183.956218 134.0
[M+H-H2O]+ 127.990320 115.7
[M+HCOO]- 189.991261 141.2
[M+CH3COO]- 204.006911 184.9
[M+Na-2H]- 165.967726 130.2
[M]+ 144.99251142 123.1
[M]- 144.99360858 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