CID 137935786

Ethyl 2-[(1e)-2,2-difluorocycloheptylidene]acetate

Structural Information

Molecular Formula
C11H16F2O2
SMILES
CCOC(=O)/C=C/1\CCCCCC1(F)F
InChI
InChI=1S/C11H16F2O2/c1-2-15-10(14)8-9-6-4-3-5-7-11(9,12)13/h8H,2-7H2,1H3/b9-8+
InChIKey
HAEIMQHUGKZEKD-CMDGGOBGSA-N
Compound name
ethyl (2E)-2-(2,2-difluorocycloheptylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11183 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11911 138.1
[M+Na]+ 241.10105 142.0
[M-H]- 217.10455 139.5
[M+NH4]+ 236.14565 157.0
[M+K]+ 257.07499 144.1
[M+H-H2O]+ 201.10909 132.2
[M+HCOO]- 263.11003 154.9
[M+CH3COO]- 277.12568 187.9
[M+Na-2H]- 239.08650 140.7
[M]+ 218.11128 130.5
[M]- 218.11238 130.5
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.