CID 122164255

1955515-25-9

Structural Information

Molecular Formula
C9H7Cl2F2NO2
SMILES
C1=C(C=C(C=C1Cl)Cl)C(C(C(=O)O)(F)F)N
InChI
InChI=1S/C9H7Cl2F2NO2/c10-5-1-4(2-6(11)3-5)7(14)9(12,13)8(15)16/h1-3,7H,14H2,(H,15,16)
InChIKey
CRBYNZBCXYEFFT-UHFFFAOYSA-N
Compound name
3-amino-3-(3,5-dichlorophenyl)-2,2-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.98218 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.98946 147.9
[M+Na]+ 291.97140 157.3
[M-H]- 267.97490 147.2
[M+NH4]+ 287.01600 164.7
[M+K]+ 307.94534 151.6
[M+H-H2O]+ 251.97944 143.1
[M+HCOO]- 313.98038 157.1
[M+CH3COO]- 327.99603 194.4
[M+Na-2H]- 289.95685 149.8
[M]+ 268.98163 146.6
[M]- 268.98273 146.6
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.