CID 9793715

1-fluorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C4H5FO2
SMILES
C1CC1(C(=O)O)F
InChI
InChI=1S/C4H5FO2/c5-4(1-2-4)3(6)7/h1-2H2,(H,6,7)
InChIKey
NDCPERCVXDYEFU-UHFFFAOYSA-N
Compound name
1-fluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1288
Patents

104.02736 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03464 115.4
[M+Na]+ 127.01658 125.7
[M-H]- 103.02008 118.3
[M+NH4]+ 122.06118 134.7
[M+K]+ 142.99052 124.9
[M+H-H2O]+ 87.024620 110.8
[M+HCOO]- 149.02556 137.0
[M+CH3COO]- 163.04121 167.1
[M+Na-2H]- 125.00203 123.0
[M]+ 104.02681 116.2
[M]- 104.02791 116.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe