CID 59297309

2-chloro-2-propenoic acid 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester

Structural Information

Molecular Formula
C9H6ClF9O2
SMILES
C=C(C(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C9H6ClF9O2/c1-4(10)5(20)21-3-2-6(11,12)7(13,14)8(15,16)9(17,18)19/h1-3H2
InChIKey
CVMPVWSYSNATQO-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-chloroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

351.99127 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.99855 158.8
[M+Na]+ 374.98049 168.0
[M-H]- 350.98399 148.6
[M+NH4]+ 370.02509 172.3
[M+K]+ 390.95443 163.6
[M+H-H2O]+ 334.98853 148.8
[M+HCOO]- 396.98947 160.9
[M+CH3COO]- 411.00512 209.6
[M+Na-2H]- 372.96594 160.6
[M]+ 351.99072 149.0
[M]- 351.99182 149.0
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