CID 533991

1-nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-

Structural Information

Molecular Formula
C9H3F17O
SMILES
C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9H3F17O/c10-2(11,1-27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h27H,1H2
InChIKey
BSXJTDJJVULBTQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

50
References

1589
Patents

449.99124 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.99852 155.7
[M+Na]+ 472.98046 160.9
[M-H]- 448.98396 161.1
[M+NH4]+ 468.02506 162.6
[M+K]+ 488.95440 168.2
[M+H-H2O]+ 432.98850 171.5
[M+HCOO]- 494.98944 175.8
[M+CH3COO]- 509.00509 228.2
[M+Na-2H]- 470.96591 189.1
[M]+ 449.99069 154.2
[M]- 449.99179 154.2
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