CID 5312960

2,2-difluoro-hexadecanoic acid

Structural Information

Molecular Formula
C16H30F2O2
SMILES
CCCCCCCCCCCCCCC(C(=O)O)(F)F
InChI
InChI=1S/C16H30F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17,18)15(19)20/h2-14H2,1H3,(H,19,20)
InChIKey
HGVDJVRXKWKSJP-UHFFFAOYSA-N
Compound name
2,2-difluorohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

292.22137 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22865 175.4
[M+Na]+ 315.21059 178.6
[M-H]- 291.21409 169.9
[M+NH4]+ 310.25519 190.2
[M+K]+ 331.18453 175.1
[M+H-H2O]+ 275.21863 167.9
[M+HCOO]- 337.21957 190.4
[M+CH3COO]- 351.23522 204.2
[M+Na-2H]- 313.19604 174.9
[M]+ 292.22082 177.1
[M]- 292.22192 177.1
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