CID 2736628

1-chlorononafluorobutane

Structural Information

Molecular Formula
C4ClF9
SMILES
C(C(C(F)(F)Cl)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4ClF9/c5-3(10,11)1(6,7)2(8,9)4(12,13)14
InChIKey
GIUDNRMHWCAPGM-UHFFFAOYSA-N
Compound name
1-chloro-1,1,2,2,3,3,4,4,4-nonafluorobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

174
Patents

253.95448 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96176 135.6
[M+Na]+ 276.94370 146.4
[M-H]- 252.94720 125.8
[M+NH4]+ 271.98830 153.0
[M+K]+ 292.91764 142.6
[M+H-H2O]+ 236.95174 126.1
[M+HCOO]- 298.95268 140.0
[M+CH3COO]- 312.96833 192.8
[M+Na-2H]- 274.92915 141.2
[M]+ 253.95393 123.6
[M]- 253.95503 123.6
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