CID 22149745

Ethyl 2-chloro-4,5-difluorobenzoate

Structural Information

Molecular Formula
C9H7ClF2O2
SMILES
CCOC(=O)C1=CC(=C(C=C1Cl)F)F
InChI
InChI=1S/C9H7ClF2O2/c1-2-14-9(13)5-3-7(11)8(12)4-6(5)10/h3-4H,2H2,1H3
InChIKey
OFACIKFWNCTFCU-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-4,5-difluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

220.01027 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01755 137.4
[M+Na]+ 242.99949 148.6
[M-H]- 219.00299 139.2
[M+NH4]+ 238.04409 157.4
[M+K]+ 258.97343 144.8
[M+H-H2O]+ 203.00753 131.4
[M+HCOO]- 265.00847 155.1
[M+CH3COO]- 279.02412 187.4
[M+Na-2H]- 240.98494 140.9
[M]+ 220.00972 139.7
[M]- 220.01082 139.7
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