CID 53874675

4-chloro-1,1-difluorobut-1-ene

Structural Information

Molecular Formula
C4H5ClF2
SMILES
C(CCl)C=C(F)F
InChI
InChI=1S/C4H5ClF2/c5-3-1-2-4(6)7/h2H,1,3H2
InChIKey
HFOJHYWCUHUJPG-UHFFFAOYSA-N
Compound name
4-chloro-1,1-difluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

126.00478 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.01206 117.6
[M+Na]+ 148.99400 126.6
[M-H]- 124.99750 115.4
[M+NH4]+ 144.03860 140.7
[M+K]+ 164.96794 123.8
[M+H-H2O]+ 109.00204 112.9
[M+HCOO]- 171.00298 134.7
[M+CH3COO]- 185.01863 170.0
[M+Na-2H]- 146.97945 123.2
[M]+ 126.00423 116.1
[M]- 126.00533 116.1
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