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]+ 173.09723 135.1
[M+Na]+ 195.07917 143.1
[M-H]- 171.08267 138.4
[M+NH4]+ 190.12377 150.6
[M+K]+ 211.05311 141.3
[M+H-H2O]+ 155.08721 128.5
[M+HCOO]- 217.08815 155.4
[M+CH3COO]- 231.10380 184.0
[M+Na-2H]- 193.06462 137.3
[M]+ 172.08940 137.1
[M]- 172.09050 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.