CID 140783378

Ethyl (e)-4-bromo-4,4-difluorobut-2-enoate

Structural Information

Molecular Formula
C6H7BrF2O2
SMILES
CCOC(=O)/C=C/C(F)(F)Br
InChI
InChI=1S/C6H7BrF2O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
InChIKey
IMADYRJPXCRICY-ONEGZZNKSA-N
Compound name
ethyl (E)-4-bromo-4,4-difluorobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.95975 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.96703 140.5
[M+Na]+ 250.94897 152.1
[M-H]- 226.95247 141.3
[M+NH4]+ 245.99357 162.2
[M+K]+ 266.92291 141.6
[M+H-H2O]+ 210.95701 140.0
[M+HCOO]- 272.95795 158.2
[M+CH3COO]- 286.97360 184.9
[M+Na-2H]- 248.93442 146.7
[M]+ 227.95920 157.9
[M]- 227.96030 157.9
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