CID 10875133

132665-00-0

Structural Information

Molecular Formula
C11H10F13IO
SMILES
C(CC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I)CO
InChI
InChI=1S/C11H10F13IO/c12-6(13,4-5(25)2-1-3-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,26H,1-4H2
InChIKey
FPLJNGUIASXYLD-UHFFFAOYSA-N
Compound name
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

531.9569 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.96418 189.6
[M+Na]+ 554.94612 190.7
[M-H]- 530.94962 199.5
[M+NH4]+ 549.99072 203.3
[M+K]+ 570.92006 192.2
[M+H-H2O]+ 514.95416 173.4
[M+HCOO]- 576.95510 213.0
[M+CH3COO]- 590.97075 230.0
[M+Na-2H]- 552.93157 179.5
[M]+ 531.95635 168.8
[M]- 531.95745 168.8
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