CID 2776229

16083-62-8

Structural Information

Molecular Formula
C10H6F15IO
SMILES
C(C(CO)I)C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F15IO/c11-4(12,1-3(26)2-27)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3,27H,1-2H2
InChIKey
MGICORPGWNJZPY-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-iodo-8-(trifluoromethyl)nonan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

553.92236 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.92964 190.1
[M+Na]+ 576.91158 202.3
[M-H]- 552.91508 200.7
[M+NH4]+ 571.95618 203.4
[M+K]+ 592.88552 193.7
[M+H-H2O]+ 536.91962 173.4
[M+HCOO]- 598.92056 212.4
[M+CH3COO]- 612.93621 232.4
[M+Na-2H]- 574.89703 181.1
[M]+ 553.92181 192.6
[M]- 553.92291 192.6
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