CID 84686240

1784588-73-3

Structural Information

Molecular Formula
C9H7ClF2O2
SMILES
C1=CC(=CC=C1C(CC(=O)O)(F)F)Cl
InChI
InChI=1S/C9H7ClF2O2/c10-7-3-1-6(2-4-7)9(11,12)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey
WIFIVDIRPJKPRY-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-3,3-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.01027 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01755 139.1
[M+Na]+ 242.99949 148.3
[M-H]- 219.00299 139.1
[M+NH4]+ 238.04409 157.8
[M+K]+ 258.97343 143.9
[M+H-H2O]+ 203.00753 133.3
[M+HCOO]- 265.00847 153.6
[M+CH3COO]- 279.02412 183.4
[M+Na-2H]- 240.98494 144.1
[M]+ 220.00972 138.3
[M]- 220.01082 138.3
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

No patent data available for this compound.