CID 2773682

Dtxsid401215696

Structural Information

Molecular Formula
C10H8ClFO2
SMILES
CC1=C(C(=C(C=C1)F)C=CC(=O)O)Cl
InChI
InChI=1S/C10H8ClFO2/c1-6-2-4-8(12)7(10(6)11)3-5-9(13)14/h2-5H,1H3,(H,13,14)
InChIKey
XURAOUQFLKLYBV-UHFFFAOYSA-N
Compound name
3-(2-chloro-6-fluoro-3-methylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01968 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02696 139.0
[M+Na]+ 237.00890 149.6
[M-H]- 213.01240 140.8
[M+NH4]+ 232.05350 158.6
[M+K]+ 252.98284 144.5
[M+H-H2O]+ 197.01694 134.2
[M+HCOO]- 259.01788 156.1
[M+CH3COO]- 273.03353 184.2
[M+Na-2H]- 234.99435 142.1
[M]+ 214.01913 140.3
[M]- 214.02023 140.3
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.