CID 2782823

2,2-difluorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C4H4F2O2
SMILES
C1C(C1(F)F)C(=O)O
InChI
InChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
InChIKey
KMLMOVWSQPHQME-UHFFFAOYSA-N
Compound name
2,2-difluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1757
Patents

122.01794 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.025216 115.3
[M+Na]+ 145.007158 126.4
[M-H]- 121.010664 117.1
[M+NH4]+ 140.051763 134.1
[M+K]+ 160.981098 125.1
[M+H-H2O]+ 105.015200 110.0
[M+HCOO]- 167.016141 135.9
[M+CH3COO]- 181.031791 170.8
[M+Na-2H]- 142.992606 121.9
[M]+ 122.01739142 115.3
[M]- 122.01848858 115.3
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