CID 10023

1-chloro-4-fluorobutane

Structural Information

Molecular Formula
C4H8ClF
SMILES
C(CCCl)CF
InChI
InChI=1S/C4H8ClF/c5-3-1-2-4-6/h1-4H2
InChIKey
RYKUJAHSVIVAQV-UHFFFAOYSA-N
Compound name
1-chloro-4-fluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

110.029854 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.03713 116.7
[M+Na]+ 133.01907 125.5
[M-H]- 109.02258 115.7
[M+NH4]+ 128.06368 140.5
[M+K]+ 148.99301 123.4
[M+H-H2O]+ 93.027114 112.8
[M+HCOO]- 155.02806 135.5
[M+CH3COO]- 169.04370 168.1
[M+Na-2H]- 131.00452 124.1
[M]+ 110.02931 117.7
[M]- 110.03040 117.7
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