CID 55302003

2-(difluoromethyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C5H6F2O2
SMILES
C1C(C1C(=O)O)C(F)F
InChI
InChI=1S/C5H6F2O2/c6-4(7)2-1-3(2)5(8)9/h2-4H,1H2,(H,8,9)
InChIKey
AQPYFAYLGMEWCD-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

136.03358 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04086 118.6
[M+Na]+ 159.02280 128.4
[M-H]- 135.02630 119.9
[M+NH4]+ 154.06740 134.9
[M+K]+ 174.99674 126.2
[M+H-H2O]+ 119.03084 111.8
[M+HCOO]- 181.03178 138.3
[M+CH3COO]- 195.04743 175.0
[M+Na-2H]- 157.00825 122.4
[M]+ 136.03303 117.9
[M]- 136.03413 117.9
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