CID 55265674

1260664-89-8

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1CC1(C2=C(C(=CC=C2)F)F)C(=O)O
InChI
InChI=1S/C10H8F2O2/c11-7-3-1-2-6(8(7)12)10(4-5-10)9(13)14/h1-3H,4-5H2,(H,13,14)
InChIKey
AZLLDERTVHHERM-UHFFFAOYSA-N
Compound name
1-(2,3-difluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.04924 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.056516 133.2
[M+Na]+ 221.038458 144.1
[M-H]- 197.041964 137.8
[M+NH4]+ 216.083063 149.1
[M+K]+ 237.012398 141.1
[M+H-H2O]+ 181.046500 126.5
[M+HCOO]- 243.047441 153.7
[M+CH3COO]- 257.063091 184.8
[M+Na-2H]- 219.023906 138.6
[M]+ 198.04869142 133.4
[M]- 198.04978858 133.4
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