CID 125449165

Ethyl 3-cyclopropyl-2-fluorobut-2-enoate

Structural Information

Molecular Formula
C9H13FO2
SMILES
CCOC(=O)/C(=C(\C)/C1CC1)/F
InChI
InChI=1S/C9H13FO2/c1-3-12-9(11)8(10)6(2)7-4-5-7/h7H,3-5H2,1-2H3/b8-6-
InChIKey
OBERRPZQCSOPAQ-VURMDHGXSA-N
Compound name
ethyl (Z)-3-cyclopropyl-2-fluorobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.08995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.097226 135.1
[M+Na]+ 195.079168 143.1
[M-H]- 171.082674 138.4
[M+NH4]+ 190.123773 150.6
[M+K]+ 211.053108 141.3
[M+H-H2O]+ 155.087210 128.5
[M+HCOO]- 217.088151 155.4
[M+CH3COO]- 231.103801 184.0
[M+Na-2H]- 193.064616 137.3
[M]+ 172.08940142 137.1
[M]- 172.09049858 137.1
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

No patent data available for this compound.