CID 5312957

2-iodohexadecanoic acid

Structural Information

Molecular Formula
C16H31IO2
SMILES
CCCCCCCCCCCCCCC(C(=O)O)I
InChI
InChI=1S/C16H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
InChIKey
YLPKUDQPEREJNG-UHFFFAOYSA-N
Compound name
2-iodohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

382.13687 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14415 189.9
[M+Na]+ 405.12609 185.3
[M-H]- 381.12959 180.3
[M+NH4]+ 400.17069 200.6
[M+K]+ 421.10003 188.2
[M+H-H2O]+ 365.13413 179.8
[M+HCOO]- 427.13507 202.3
[M+CH3COO]- 441.15072 209.3
[M+Na-2H]- 403.11154 175.4
[M]+ 382.13632 191.1
[M]- 382.13742 191.1
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