CID 2776252

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl chloride

Structural Information

Molecular Formula
C9ClF17O
SMILES
C(=O)(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)Cl
InChI
InChI=1S/C9ClF17O/c10-1(28)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27
InChIKey
MPWXHQITWLFMQM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

89
Patents

481.9366 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.94388 161.7
[M+Na]+ 504.92582 168.8
[M-H]- 480.92932 169.8
[M+NH4]+ 499.97042 172.4
[M+K]+ 520.89976 176.6
[M+H-H2O]+ 464.93386 169.3
[M+HCOO]- 526.93480 181.7
[M+CH3COO]- 540.95045 232.9
[M+Na-2H]- 502.91127 186.4
[M]+ 481.93605 163.0
[M]- 481.93715 163.0
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