CID 14996288

139229-58-6

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1CC1(C2=C(C=CC=C2F)F)C(=O)O
InChI
InChI=1S/C10H8F2O2/c11-6-2-1-3-7(12)8(6)10(4-5-10)9(13)14/h1-3H,4-5H2,(H,13,14)
InChIKey
QRGUMJCPHNBRHI-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

198.04924 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05652 133.2
[M+Na]+ 221.03846 144.1
[M-H]- 197.04196 137.8
[M+NH4]+ 216.08306 149.1
[M+K]+ 237.01240 141.1
[M+H-H2O]+ 181.04650 126.5
[M+HCOO]- 243.04744 153.7
[M+CH3COO]- 257.06309 184.8
[M+Na-2H]- 219.02391 138.6
[M]+ 198.04869 133.4
[M]- 198.04979 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

literature stripe

Patent stripe

patents stripe