CID 3017475

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoyl chloride

Structural Information

Molecular Formula
C10H2ClF17O
SMILES
C(C(=O)Cl)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
InChI
InChI=1S/C10H2ClF17O/c11-2(29)1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1H2
InChIKey
FMAZHALGIPCISB-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

495.95227 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.95955 165.4
[M+Na]+ 518.94149 172.4
[M-H]- 494.94499 173.2
[M+NH4]+ 513.98609 176.1
[M+K]+ 534.91543 180.5
[M+H-H2O]+ 478.94953 156.3
[M+HCOO]- 540.95047 185.1
[M+CH3COO]- 554.96612 235.4
[M+Na-2H]- 516.92694 166.0
[M]+ 495.95172 166.6
[M]- 495.95282 166.6
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