CID 12698018

Methyl 3,3-difluoroacrylate

Structural Information

Molecular Formula
C4H4F2O2
SMILES
COC(=O)C=C(F)F
InChI
InChI=1S/C4H4F2O2/c1-8-4(7)2-3(5)6/h2H,1H3
InChIKey
WBCCJQXKXZNHFB-UHFFFAOYSA-N
Compound name
methyl 3,3-difluoroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

122.01794 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02522 117.8
[M+Na]+ 145.00716 126.2
[M-H]- 121.01066 115.9
[M+NH4]+ 140.05176 140.1
[M+K]+ 160.98110 126.4
[M+H-H2O]+ 105.01520 112.0
[M+HCOO]- 167.01614 139.1
[M+CH3COO]- 181.03179 169.1
[M+Na-2H]- 142.99261 122.5
[M]+ 122.01739 116.0
[M]- 122.01849 116.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe