CID 10035616

156021-07-7

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1C(C1(F)F)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C10H8F2O2/c11-10(12)6-9(10,8(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKey
QXRNDRDZDULUAG-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

198.04924 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.056516 134.8
[M+Na]+ 221.038458 145.6
[M-H]- 197.041964 139.4
[M+NH4]+ 216.083063 152.3
[M+K]+ 237.012398 143.5
[M+H-H2O]+ 181.046500 128.9
[M+HCOO]- 243.047441 155.0
[M+CH3COO]- 257.063091 183.5
[M+Na-2H]- 219.023906 141.8
[M]+ 198.04869142 135.1
[M]- 198.04978858 135.1
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