CID 5374941

3,5-difluorocinnamic acid

Structural Information

Molecular Formula
C9H6F2O2
SMILES
C1=C(C=C(C=C1F)F)/C=C/C(=O)O
InChI
InChI=1S/C9H6F2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5H,(H,12,13)/b2-1+
InChIKey
MBAWRXICVNIUGY-OWOJBTEDSA-N
Compound name
(E)-3-(3,5-difluorophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

184.03358 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04086 139.0
[M+Na]+ 207.02280 149.7
[M+NH4]+ 202.06740 145.2
[M+K]+ 222.99674 144.1
[M-H]- 183.02630 137.0
[M+Na-2H]- 205.00825 143.3
[M]+ 184.03303 139.6
[M]- 184.03413 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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